SCHEMBL3358803

SCHEMBL3358803

N#Cc1cccc2c(F)c(O)c(=O)[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FASN P49327 10/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MCL1 Q07820 1/20 0.38
UPP1 Q16831 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
IDE P14735 1/20 0.37
MPI P34949 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
DAO P14920 2/20 0.36
DDO Q99489 2/20 0.36
SERPINE1 P05121 1/20 0.35
DYRK1A Q13627 1/20 0.34

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
SCHEMBL9389330 0.76 KDM4E (0.43) FASNCA1CA2MCL1UPP1
SCHEMBL3395242 0.76 FASN (0.42) FASNMCL1UPP1KDM4EALDH1A1
SCHEMBL3420696 0.74 DAO (0.51) KDM4EALDH1A1MAPTIDEMPI
SCHEMBL29732438 0.72 DYRK1A (0.47) CA1CA2MCL1DYRK1A
SCHEMBL20115833 0.72 DYRK1A (0.47) CA1CA2MCL1DYRK1A
SCHEMBL3432547 0.70 GRIN2D (0.41) KDM4EALDH1A1MAPTIDEMPI
SCHEMBL31628356 0.70 FEN1 (0.40) CA1CA2DYRK1A
SCHEMBL17942038 0.68 KDM4E (0.69) KDM4EALDH1A1MAPTIDEMPI
SCHEMBL18152257 0.68 DAO (0.53) CA1CA2MCL1KDM4EALDH1A1
SCHEMBL12765007 0.68 CA1 (0.37) FASNCA1CA2MCL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010058314-A1 HYDROXYQUINOLIN-2(1H)-ONES AND DERIVATIVES THEREOF PFIZER INC. (US) 2010-05-27 WO claimed