SCHEMBL3344690

SCHEMBL3344690

Cc1cc(O)c2c(C)c(Cc3ccccc3Cl)c(=O)[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
ALKBH3 Q96Q83 1/20 0.42
PTGS2 P35354 1/20 0.41
ALOX5 P09917 2/20 0.40
PTGES O14684 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
DAO P14920 3/20 0.39
NR3C1 P04150 1/20 0.38
PKM P14618 1/20 0.37

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
SCHEMBL3349142 0.84 ALDH1A1 (0.53) KDM4EALDH1A1CYP1A2DAO
SCHEMBL3345086 0.81 ALKBH3 (0.42) SMN1; SMN2RXFP1ALKBH3ALOX5PTGES
SCHEMBL3349053 0.81 ALDH1A1 (0.45) SMN1; SMN2PDE3BPDE3AALKBH3PTGS2
SCHEMBL3349059 0.80 ALDH1A1 (0.46) SMN1; SMN2PDE3BPDE3AALKBH3ALOX5
SCHEMBL3351444 0.79 ALDH1A1 (0.47) SMN1; SMN2RXFP1PDE3BPDE3AALKBH3
SCHEMBL14246752 0.78 DAO (0.45) ALOX5KDM4EALDH1A1DAONR3C1
SCHEMBL14317182 0.78 NR3C1 (0.40) SMN1; SMN2KDM4EALDH1A1DAONR3C1
SCHEMBL5326909 0.76 RXFP1 (0.70) SMN1; SMN2RXFP1KDM4EALDH1A1
SCHEMBL3350433 0.76 ALDH1A1 (0.43) ALKBH3PTGS2KDM4EALDH1A1DAO
SCHEMBL14246738 0.74 LMNA (0.48) SMN1; SMN2ALDH1A1DAO

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-2010040989-A1 QUINOLIN-2-ONE COMPOUNDS ARGENTA ORAL THERAPEUTICS LIMITED (GB) 2010-04-15 WO disclosed