SCHEMBL4399532

SCHEMBL4399532

c1ccc(N(c2ccccc2)c2ncncn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
TSHR P16473 3/20 0.41
MAPT P10636 5/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.38
JAK2 O60674 1/20 0.38
RAB9A P51151 1/20 0.38
HDAC6 Q9UBN7 3/20 0.36
HDAC1 Q13547 2/20 0.36
MEN1 O00255 2/20 0.35
MAPK1 P28482 2/20 0.35

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
SCHEMBL12460477 0.86 ALDH1A1 (0.42) ALDH1A1TDP1TSHRMAPTL3MBTL1
SCHEMBL29522386 0.84 ALDH1A1 (0.37) ALDH1A1TDP1TSHRSMN1; SMN2NPC1
SCHEMBL27634836 0.84 ALDH1A1 (0.41) ALDH1A1TDP1TSHRMAPTL3MBTL1
SCHEMBL28704111 0.84 ALDH1A1 (0.37) ALDH1A1TDP1TSHRSMN1; SMN2NPC1
SCHEMBL4582422 0.82 TDP1 (0.54) ALDH1A1TDP1TSHRMAPTL3MBTL1
SCHEMBL27617086 0.79 ALDH1A1 (0.52) ALDH1A1TDP1TSHRMAPTL3MBTL1
SCHEMBL16483989 0.79 ALDH1A1 (0.47) ALDH1A1TDP1TSHRMAPTL3MBTL1
SCHEMBL27615944 0.78 SIGMAR1 (0.41) ALDH1A1TDP1TSHRMAPTL3MBTL1
SCHEMBL29044898 0.78 TAAR1 (0.41) ALDH1A1TDP1TSHRCYP2D6SMN1; SMN2
SCHEMBL3394969 0.77 HSP90AA1 (0.33) ALDH1A1TDP1TSHRMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116789893-B Preparation method of fracturing fluid resistance reducing agent 东营市百扬石油科技有限责任公司 2023-10-24 CN claimed
CN-116789893-A Preparation method of fracturing fluid resistance reducing agent 东营市百扬石油科技有限责任公司 2023-09-22 CN claimed
CN-107428730-B 1,3, 5-triazinyl PI3K inhibitors as anti-cancer agents and methods of making the same 科学与工业研究会 2020-10-16 CN claimed
CN-104046350-B A kind of fluorescent microsphere and preparation method and application 广州熵能创新材料股份有限公司 2018-08-17 CN claimed
CN-1728908-B Organic electroluminescent device SAMSUNG SDI CO LTD 2011-08-17 CN claimed
CN-1773746-B Organic electroluminescent device SAMSUNG SDI CO LTD 2010-11-17 CN claimed
CN-101128559-A Phosphorescent OLEDs with exciton blocking layer EASTMAN KODAK CO (US) 2008-02-20 CN claimed
CN-1841810-A Organic electroluminescent device and method of manufacturing the same SAMSUNG SDI CO LTD (KR) 2006-10-04 CN claimed
CN-1773746-A Organic electroluminescent device SAMSUNG SDI CO LTD (KR) 2006-05-17 CN claimed
CN-1728908-A Organic electroluminescent device SAMSUNG SDI CO LTD (KR) 2006-02-01 CN claimed
CN-116789893-B Preparation method of fracturing fluid resistance reducing agent 东营市百扬石油科技有限责任公司 2023-10-24 CN disclosed
CN-116789893-A Preparation method of fracturing fluid resistance reducing agent 东营市百扬石油科技有限责任公司 2023-09-22 CN disclosed
CN-116156929-A Organic electroluminescent element 索路思高新材料有限公司 2023-05-23 CN disclosed
CN-107428730-B 1,3, 5-triazinyl PI3K inhibitors as anti-cancer agents and methods of making the same 科学与工业研究会 2020-10-16 CN disclosed
CN-110831935-A Organic compound and organic electroluminescent element using the same 株式会社斗山 2020-02-21 CN disclosed
CN-1728908-A Organic electroluminescent device SAMSUNG SDI CO LTD (KR) 2006-02-01 CN disclosed
US-4169705-A Coloration process IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-10-02 US disclosed
US-4153413-A DYEING POLYESTER OR CELLULOSE TRIACETATE WITH A DISPERSE AZO DYESTUFF, HEAT TREATMENT, PADDING, PRINTING IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-05-08 US disclosed
US-4147510-A Coloration process IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-04-03 US disclosed
US-4134723-A DYEING AROMATIC POLYESTER/POLYAMIDE OR AROMATIC POLYESTER/CELLULOSE BLENDS WITH DISPERSE MONOAZO DYE, ALKALINE BATH IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-01-16 US disclosed