SCHEMBL745013

SCHEMBL745013

CCCC(=O)c1ccccn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 7/20 0.63
WNT3A P56704 5/20 0.63
ALDH1A1 P00352 1/20 0.57
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
LMNA P02545 4/20 0.53
NAPRT Q6XQN6 1/20 0.53
P4HTM Q9NXG6 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
GRM4 Q14833 1/20 0.50
TP53 P04637 1/20 0.50
KDM4E B2RXH2 2/20 0.49
USP2 O75604 1/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
HSP90AA1 P07900 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30579595 1.00 CTNNB1 (0.63) CTNNB1WNT3AALDH1A1CES2CES1
SCHEMBL1255008 0.89 CTNNB1 (0.59) CTNNB1WNT3AALDH1A1CES2CES1
SCHEMBL2470002 0.88 CTNNB1 (0.71) CTNNB1WNT3AALDH1A1CES2CES1
SCHEMBL1255019 0.87 LMNA (0.61) CTNNB1WNT3AALDH1A1LMNAHTT
SCHEMBL1254914 0.86 LMNA (0.63) CTNNB1WNT3ALMNAHTTSMN1; SMN2
SCHEMBL9658034 0.86 LMNA (0.63) CTNNB1WNT3ALMNAHTTSMN1; SMN2
SCHEMBL17817131 0.86 LMNA (0.63) CTNNB1WNT3ALMNAHTTSMN1; SMN2
SCHEMBL1254915 0.86 LMNA (0.63) CTNNB1WNT3ALMNAHTTSMN1; SMN2
SCHEMBL9440127 0.86 LMNA (0.63) CTNNB1WNT3ALMNAHTTSMN1; SMN2
SCHEMBL28247961 0.86 LMNA (0.63) CTNNB1WNT3ALMNAHTTSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 106 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115418642-B Copper-molybdenum etching solution and preparation method thereof 湖北兴福电子材料股份有限公司 2023-06-02 CN claimed
CN-115418642-A Copper-molybdenum etching solution and preparation method thereof 湖北兴福电子材料股份有限公司 2022-12-02 CN claimed
CN-111887473-B Prediction method for smoke harmful component release amount based on whole genome selection and application 云南省烟草农业科学研究院 2022-07-01 CN claimed
US-20070149717-A1 Functionalized polymers BRIDGESTONE CORPORATION (JP) 2007-06-28 US claimed
CN-1294519-A Pharmaceutical composition containing a compound having an activity of promoting the absorption of an active ingredient INPHARMA SA (CH) 2001-05-09 CN claimed
US-5017636-A Also containing polyisoprene, natural rubber, butadiene-styrene copolymer, wear and heat resistance, resilience JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1991-05-21 US claimed
CN-119497723-A Conjugated diene polymer, molded article, method for producing conjugated diene polymer, rubber composition, and tire 旭化成株式会社 2025-02-21 CN disclosed
CN-119462990-A Conjugated diene polymer, method for producing conjugated diene polymer, conjugated diene polymer composition, and rubber composition 旭化成株式会社 2025-02-18 CN disclosed
CN-114341206-B Conjugated diene polymer, method for producing conjugated diene polymer, conjugated diene polymer composition, and rubber composition 旭化成株式会社 2024-12-20 CN disclosed
CN-109444326-B Main component trapping and detecting device for main stream smoke of cigarettes and analyzing method thereof 云南中烟工业有限责任公司 2024-12-10 CN disclosed
CN-114933676-B Multifunctional vinyl aromatic copolymer, process for producing the same, conjugated diene copolymer, composition thereof, crosslinked product, and tire member 日铁化学材料株式会社 2024-10-29 CN disclosed
CN-115348975-B Conjugated diene polymer, method for producing conjugated diene polymer, conjugated diene polymer composition, and rubber composition 旭化成株式会社 2024-10-22 CN disclosed
CN-113773244-B Method for removing ketone fragment in nitrogen heterocyclic compound substituent 复旦大学 2024-03-22 CN disclosed
US-5017636-A Also containing polyisoprene, natural rubber, butadiene-styrene copolymer, wear and heat resistance, resilience JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1991-05-21 US disclosed
EP-0025819-B1 SUBSTITUTED PYRAZOLO (1,5-A) PYRIMIDINES, AND THEIR PREPARATION AMERICAN CYANAMID COMPANY (US) 1983-10-12 EP disclosed
US-4404412-A WITH 1,5-DIAZABICYCLO (5. 4. 0) UNDECEN-5-ENE THE DOW CHEMICAL COMPANY (US) 1983-09-13 US disclosed
US-4368338-A PERCHLOROETHYLENE OR TRICHLOROETHYLENE WITH ETHYL ACETATE, ACETONITRILE OR PYRAZINE AND N-METHYLPYRROLE THE DOW CHEMICAL COMPANY (US) 1983-01-11 US disclosed
EP-0042103-A1 7,8,9,10-Tetrahydrofuro(3,2-e)pyrido(4,3-b)indoles, process for their preparation and their use in medicaments, and their preparation Troponwerke GmbH & Co. KG (DE) 1981-12-23 EP disclosed
US-4281000-A Substituted pyrazolo (1,5-a)pyrimidines and their use as anxiolytic agents AMERICAN CYANAMID COMPANY (US) 1981-07-28 US disclosed
EP-0025819-A1 Substituted pyrazolo (1,5-a) pyrimidines, and their preparation AMERICAN CYANAMID COMPANY (US) 1981-04-01 EP disclosed