SCHEMBL8618657

SCHEMBL8618657

O=C1N=CC(c2ccc(F)cc2)=N1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.39
NOTUM Q6P988 1/20 0.35
RAB9A P51151 3/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
BCL2L1 Q07817 1/20 0.33
BAD Q92934 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX5 P09917 1/20 0.33
USP1 O94782 1/20 0.33
USP19 O94966 1/20 0.33
UCHL3 P15374 1/20 0.33
SERPINE1 P05121 1/20 0.33
MAPK10 P53779 1/20 0.32
ERCC1 P07992 1/20 0.32
ERCC4 Q92889 1/20 0.32
AR P10275 1/20 0.31
TNKS O95271 1/20 0.31

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
SCHEMBL28186290 0.79 ALDH1A1 (0.34) RAB9ANPC1MAPTALDH1A1TNKS
SCHEMBL15467777 0.79 CYP2D6 (0.36) NOTUMRAB9ANPC1MAPTALDH1A1
SCHEMBL28211241 0.79 NOTUM (0.37) NOTUMRAB9AALDH1A1
SCHEMBL7545259 0.78 MAPT (0.43) MAPK14NOTUMRAB9ANPC1MAPT
SCHEMBL28238007 0.73 PTPN1 (0.38) AR
SCHEMBL27541518 0.67 NOTUM (0.35) NOTUM
SCHEMBL8618979 0.67 MAPK14 (0.39) MAPK14NOTUMRAB9ANPC1MAPT
SCHEMBL6168373 0.65 MAPK14 (0.55) MAPK14MAPK10AR
SCHEMBL8623934 0.64
SCHEMBL866248 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922345-A Arylsulfonamide compounds and its therapeutical uses as carbonic anhydrase inhibitor 圣诺康生命科学公司 2018-04-17 CN claimed
CN-108349984-A The derivative of 1- Phenylpyrrolidine -2- ketone as PERK inhibitor 葛兰素史密斯克莱知识产权(第2 号)有限公司 2018-07-31 CN disclosed
CN-107922345-A Arylsulfonamide compounds and its therapeutical uses as carbonic anhydrase inhibitor 圣诺康生命科学公司 2018-04-17 CN disclosed
US-5849861-A Polyquinazolines and methods for their preparation HITACHI CHEMICAL CO., LTD. (JP) 1998-12-15 US disclosed
US-5686560-A TREATING A MONOMER WITH A BASE IN A DIPOLAR SOLVENT HITACHI CHEMICAL CO., LTD. (JP) 1997-11-11 US disclosed