SCHEMBL4740528

SCHEMBL4740528

CC(=O)c1sc(-c2ccccc2Cl)nc1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
RAB9A P51151 5/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
NPC1 O15118 4/20 0.64
MAPT P10636 1/20 0.64
KMT2A Q03164 3/20 0.58
HTR2C P28335 2/20 0.49
KDM4E B2RXH2 3/20 0.46
RXFP1 Q9HBX9 2/20 0.46
HPGD P15428 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
POLB P06746 1/20 0.46
DHODH Q02127 1/20 0.45
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
PKM P14618 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SENP7 Q9BQF6 1/20 0.45

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
SCHEMBL3418888 0.88 SMN1; SMN2 (0.65) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL27858909 0.87 SMN1; SMN2 (0.63) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL13071539 0.84 ALDH1A1 (0.60) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL4662676 0.78 ALDH1A1 (0.53) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL851866 0.78 SMN1; SMN2 (0.78) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL2095721 0.77 ALDH1A1 (0.51) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL20102674 0.77 ALDH1A1 (0.53) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL13071549 0.77 GAA (0.53) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL27589478 0.76 ALDH1A1 (0.51) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL3404790 0.75 HTR2C (0.57) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT

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 2 patents. 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
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