SCHEMBL230048

SCHEMBL230048

Cc1cccnc1-c1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.60
NPC1 O15118 4/20 0.60
METAP2 P50579 1/20 0.55
LMNA P02545 3/20 0.54
CCR1 P32246 2/20 0.54
CCR5 P51681 2/20 0.54
CCR8 P51685 2/20 0.54
CYP1A2 P05177 1/20 0.54
POLB P06746 1/20 0.54
METAP1 P53582 1/20 0.54
BLM P54132 1/20 0.54
HIF1A Q16665 1/20 0.54
DOHH Q9BU89 1/20 0.54
P4HTM Q9NXG6 1/20 0.54
CYP2A6 P11509 1/20 0.50
TP53 P04637 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
RAB9A P51151 3/20 0.46
TDP1 Q9NUW8 2/20 0.46

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
SCHEMBL29531176 1.00 KDM4E (0.60) KDM4ENPC1METAP2LMNACCR1
SCHEMBL31456709 0.98 KDM4E (0.58) KDM4ENPC1METAP2LMNACCR1
SCHEMBL2966928 0.88 KDM4E (0.53) KDM4ENPC1METAP2LMNACCR1
SCHEMBL11651384 0.83 KDM4E (0.45) KDM4ENPC1METAP2LMNACCR1
SCHEMBL592061 0.83 CYP2A6 (0.56) KDM4ENPC1METAP2LMNACCR1
SCHEMBL31365155 0.82 METAP2 (0.50) KDM4ENPC1METAP2LMNACCR1
SCHEMBL31252534 0.81 CYP2A6 (0.61) KDM4ENPC1METAP2LMNABLM
SCHEMBL196235 0.81 CYP2A6 (0.61) KDM4ENPC1METAP2LMNABLM
SCHEMBL29924154 0.81 CYP2A6 (0.61) KDM4ENPC1METAP2LMNABLM
SCHEMBL349543 0.79 KDM4E (0.56) KDM4ENPC1LMNACCR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167144-A1 PREPARATION AND ITS APPLICATION OF A CYANIDE-BRIDGED METAL ORGANIC COMPOUND WITH INTRAMOLECULAR MAGNETIC TRANSFORMATION Hubei Jingmen Industrial Technology Research Institute Co., Ltd. (CN) 2023-06-01 US claimed
CN-110168790-B Electric fuel energy storage system and method 香港科技大学 2022-05-13 CN claimed
CN-113999276-A Purification method and preparation method of deacetyl hairy flower glycoside intermediate 威智医药有限公司 2022-02-01 CN claimed
CN-113891878-A Method for producing ruthenium complexes 庄信万丰股份有限公司 2022-01-04 CN claimed
CN-110416586-B Iron-based flow battery, positive and negative electrolyte thereof and preparation method 江西理工大学 2020-09-11 CN claimed
CN-111518145-A Cyanide-bridged metal organic compound with intramolecular magnetic transformation, and preparation method and application thereof 荆楚理工学院 2020-08-11 CN claimed
CN-110416586-A Iron-based flow battery and its positive and negative anodes electrolyte and preparation method UNIV JIANGXI SCI & TECHNOLOGY 2019-11-05 CN claimed
CN-105669689-B A kind of preparation and application of the mercury ion fluorescence probe compound based on rhodamine B 济南大学 2017-12-12 CN claimed
CN-104211559-B A kind of preparation method of tetramethyl biphenyl isomer 哈尔滨工业大学(威海) 2016-08-24 CN claimed
EP-1784405-A4 DETERMINATION OF NUCLEIC ACID USING ELECTROCATALYTIC INTERCALATORS AGENCY SCIENCE TECH & RES (SG) 2009-09-02 EP claimed
EP-1784405-A1 DETERMINATION OF NUCLEIC ACID USING ELECTROCATALYTIC INTERCALATORS Agency for Science, Technology and Research (SG) 2007-05-16 EP claimed
WO-2006025796-A1 DETERMINATION OF NUCLEIC ACID USING ELECTROCATALYTIC INTERCALATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2006-03-09 WO claimed
WO-2004023128-A1 DETECTION OF TARGET NUCLEIC ACID MOLECULES BY ALTERATION OF REACTION OF A REDOX SPECIES FOLLOWING HYBRIDIZATION WITH IMMOBLIZED CAPTURE NUCLEIC ACID MOLECULES UNISEARCH LIMITED (AU) 2004-03-18 WO claimed
CN-1479870-A Optical detection of glucose using boronic acid adducts ���������Ǵ�ѧ���»� 2004-03-03 CN claimed
WO-1999031513-A1 METHOD AND COMPOSITION FOR CHARACTERIZING A SAMPLE CONTAINING A SAMPLE LIPID AND AN ASSAY KIT LAKOWICZ JOSEPH R (US) 1999-06-24 WO claimed
US-4086229-A Dinitrosyldihalo complexes of molybdenum or tungsten PHILLIPS PETROLEUM COMPANY (US) 1978-04-25 US claimed
US-4061638-A Organocalciumpyridine-type polymerization initiators PHILLIPS PETROLEUM COMPANY (US) 1977-12-06 US claimed
US-3997708-A ADDITION PHILLIPS PETROLEUM COMPANY (US) 1976-12-14 US claimed
CN-118001458-A In-situ electrical stimulation nerve conduit based on polyamino acid electrode material 中国科学院长春应用化学研究所 2024-05-10 CN disclosed
US-3997708-A ADDITION PHILLIPS PETROLEUM COMPANY (US) 1976-12-14 US disclosed