SCHEMBL4740529

SCHEMBL4740529

COc1ccc(-c2nc(C)c(C(=O)C=Cc3ccc(O)c(Cl)c3Cl)s2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.67
SMN1; SMN2 Q16637 5/20 0.67
ALDH1A1 P00352 4/20 0.67
LMNA P02545 3/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
RAB9A P51151 4/20 0.50
ATM Q13315 1/20 0.50
NPC1 O15118 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
PTPN11 Q06124 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
ALOX5 P09917 2/20 0.42
SULT1A1 P50225 1/20 0.41

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
SCHEMBL4740526 1.00 MAPT (0.67) MAPTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL4740502 0.90 MAPT (0.62) MAPTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL4740504 0.90 MAPT (0.62) MAPTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL4740506 0.86 ALDH1A1 (0.52) MAPTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL4740490 0.86 ALDH1A1 (0.52) MAPTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL4738825 0.80 MAPT (0.63) MAPTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL4738828 0.80 MAPT (0.63) MAPTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL4740739 0.79 ALDH1A1 (0.59) MAPTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL4740738 0.79 ALDH1A1 (0.59) MAPTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL14146446 0.78 MAPT (0.48) MAPTSMN1; SMN2ALDH1A1LMNAKMT2A

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