SCHEMBL4738828

SCHEMBL4738828

Cc1nc(-c2ccccc2Cl)sc1C(=O)C=Cc1ccc(O)c(Cl)c1Cl

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.63
ALDH1A1 P00352 7/20 0.63
SMN1; SMN2 Q16637 7/20 0.63
RAB9A P51151 4/20 0.63
NPC1 O15118 3/20 0.63
LMNA P02545 4/20 0.49
KMT2A Q03164 6/20 0.48
ATM Q13315 1/20 0.48
MEN1 O00255 5/20 0.42
ABCG2 Q9UNQ0 3/20 0.41
KDM4E B2RXH2 1/20 0.39
JAK2 O60674 1/20 0.39
EGFR P00533 1/20 0.39
HTR2C P28335 1/20 0.38
KDR P35968 1/20 0.36

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
SCHEMBL4738825 1.00 MAPT (0.63) MAPTALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL4740502 0.83 MAPT (0.62) MAPTALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL4740504 0.83 MAPT (0.62) MAPTALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL4740529 0.80 MAPT (0.67) MAPTALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL4740526 0.80 MAPT (0.67) MAPTALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL4740490 0.78 ALDH1A1 (0.52) MAPTALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL4740506 0.78 ALDH1A1 (0.52) MAPTALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL4740738 0.77 ALDH1A1 (0.59) MAPTALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL4740739 0.77 ALDH1A1 (0.59) MAPTALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL14146446 0.77 MAPT (0.48) MAPTALDH1A1SMN1; SMN2RAB9ANPC1

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-2008087367-A2 SUBSTITUTED (PHENYLTHIAZOLYL)-PHENYL-PROPAN-1-ONE AND (PHENYLOXAZODYL)-PHENYL-PROPAN-1-ONE DERIVATIVES, PREPARATIONS AND USES OF SAME GENFIT (FR) 2008-07-24 WO disclosed