SCHEMBL7434331

SCHEMBL7434331

CC(=O)SC(C)(Cc1ccccc1)C(=O)Cl

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
ALDH1A1 P00352 4/20 0.40
RECQL P46063 2/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
SLC6A2 P23975 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MMP8 P22894 4/20 0.38
LMNA P02545 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP1A2 P05177 1/20 0.38
TRPA1 O75762 1/20 0.38
RIPK1 Q13546 2/20 0.37
MAPK1 P28482 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
SCHEMBL9474155 0.86 SMN1; SMN2 (0.47) SMN1; SMN2HIF1AALDH1A1RECQLPPARG
SCHEMBL10588553 0.86 SMN1; SMN2 (0.47) SMN1; SMN2HIF1AALDH1A1RECQLPPARG
SCHEMBL13332178 0.78 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1RECQLTAAR1MMP8
SCHEMBL10952521 0.78 GGPS1 (0.41) SMN1; SMN2HIF1AALDH1A1RECQLPPARG
SCHEMBL2175542 0.74 SMN1; SMN2 (0.48) SMN1; SMN2HIF1AALDH1A1RECQLPPARG
SCHEMBL28352359 0.73 SMN1; SMN2 (0.47) SMN1; SMN2HIF1AALDH1A1RECQLPPARG
Ammonia Solution, Strong SCHEMBL27747945 0.73 SMN1; SMN2 (0.47) SMN1; SMN2HIF1AALDH1A1RECQLPPARG
SCHEMBL11592767 0.73 SMN1; SMN2 (0.52) SMN1; SMN2HIF1AALDH1A1RECQLPPARG
SCHEMBL10483820 0.73 SMN1; SMN2 (0.47) SMN1; SMN2HIF1AALDH1A1RECQLPPARG
SCHEMBL9107668 0.72 SMN1; SMN2 (0.50) SMN1; SMN2HIF1AALDH1A1RECQLPPARG

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
EP-0318859-A2 N-substituted mercaptopropanamide derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1989-06-07 EP disclosed