SCHEMBL6257294

SCHEMBL6257294

NC(=O)c1ccccc1-c1ccc2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.53
IKBKB O14920 1/20 0.50
CSNK1A1 P48729 1/20 0.50
TYRO3 Q06418 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
NPC1 O15118 7/20 0.49
RAB9A P51151 7/20 0.49
PARP1 P09874 2/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
POLB P06746 2/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 4/20 0.46
CYP3A4 P08684 4/20 0.46
ALDH1A1 P00352 3/20 0.46
TP53 P04637 2/20 0.46
MAPK1 P28482 2/20 0.46
HIF1A Q16665 1/20 0.46
PTGS2 P35354 1/20 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
SCHEMBL31531876 1.00 BCAT2 (0.53) BCAT2IKBKBCSNK1A1TYRO3DYRK1B
SCHEMBL5106250 0.85 RAB9A (0.62) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7358868 0.85 RAB9A (0.46) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL28055770 0.84 PARP1 (0.55) BCAT2IKBKBCSNK1A1TYRO3DYRK1B
SCHEMBL8913574 0.82 BCAT2 (0.45) BCAT2IKBKBCSNK1A1TYRO3DYRK1B
SCHEMBL28183385 0.82 IKBKB (0.47) IKBKBNPC1RAB9APARP1MEN1
SCHEMBL15903518 0.82 RAB9A (0.52) BCAT2IKBKBNPC1RAB9APARP1
SCHEMBL31038175 0.81 CNR2 (0.57) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL31038178 0.80 RAB9A (0.49) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL28172285 0.79 CNR2 (0.47) IKBKBNPC1RAB9APARP1LMNA

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107162971-A N phenyl N [8] quinolyl 4(Trifluoromethyl)The preparation method of benzamide 湖北工业大学 2017-09-15 CN claimed
CN-104693355-B Terminal-modified conjugated diene-vinyl aromatic hydrocarbon copolymer and synthesis method thereof 奇美实业股份有限公司 2017-08-04 CN claimed
CN-107011263-A The preparation method of the methoxy benzamide of N phenyl N [8] quinolyl 4 湖北工业大学 2017-08-04 CN claimed
CN-106977454-A The preparation method of N phenyl N [8] quinoline yl-benzamide 湖北工业大学 2017-07-25 CN claimed
CN-108329262-A The synthetic method of N- (2- quinolyls) benzamide compound 温州大学 2018-07-27 CN disclosed
CN-108203487-A Terminal-modified conjugated diene-vinyl aromatic hydrocarbon copolymer, method for synthesizing same, rubber composition, and tire 奇美实业股份有限公司 2018-06-26 CN disclosed
CN-107417613-A The preparation method of the methyl benzamide of N phenyl N [8] quinolyl 4 湖北工业大学 2017-12-01 CN disclosed
CN-104327046-B Triazole N ethyl tetrahydroisoquinolicompounds compounds and its preparation method and application 中国药科大学 2017-11-17 CN disclosed
CN-107162972-A The preparation method of the trimethylbenzoyl amine of N phenyl N [8] quinolyl 2,4,6 湖北工业大学 2017-09-15 CN disclosed
CN-107162971-A N phenyl N [8] quinolyl 4(Trifluoromethyl)The preparation method of benzamide 湖北工业大学 2017-09-15 CN disclosed
CN-107162971-A N phenyl N [8] quinolyl 4(Trifluoromethyl)The preparation method of benzamide 湖北工业大学 2017-09-15 CN disclosed
CN-104693355-B Terminal-modified conjugated diene-vinyl aromatic hydrocarbon copolymer and synthesis method thereof 奇美实业股份有限公司 2017-08-04 CN disclosed
CN-107011263-A The preparation method of the methoxy benzamide of N phenyl N [8] quinolyl 4 湖北工业大学 2017-08-04 CN disclosed
CN-107011263-A The preparation method of the methoxy benzamide of N phenyl N [8] quinolyl 4 湖北工业大学 2017-08-04 CN disclosed
CN-106977454-A The preparation method of N phenyl N [8] quinoline yl-benzamide 湖北工业大学 2017-07-25 CN disclosed
CN-106977454-A The preparation method of N phenyl N [8] quinoline yl-benzamide 湖北工业大学 2017-07-25 CN disclosed
CN-106977454-A The preparation method of N phenyl N [8] quinoline yl-benzamide 湖北工业大学 2017-07-25 CN disclosed
CN-104693355-A Terminal-modified conjugated diene-vinyl aromatic hydrocarbon copolymer and synthesis method thereof CHI MEI CORP 2015-06-10 CN disclosed
EP-1430030-B1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2005-05-18 EP disclosed