SCHEMBL7430635

SCHEMBL7430635

CC(c1ccccc1)C(S)C(=O)Nc1cccc(C(=O)OCCN(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASR P41180 3/20 0.46
ALDH1A1 P00352 4/20 0.45
USP2 O75604 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
HIF1A Q16665 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL7435427 0.82 NPSR1 (0.52) CASRALDH1A1USP2HSD17B10MAPT
Hydrochloric Acid SCHEMBL7438272 0.81 RAB9A (0.44) CASRALDH1A1USP2HSD17B10RAB9A
SCHEMBL7434602 0.81 ALDH1A1 (0.45) CASRALDH1A1USP2HSD17B10RAB9A
Hydrochloric Acid SCHEMBL7430574 0.80 RAB9A (0.55) ALDH1A1USP2HSD17B10RAB9AMAPT
SCHEMBL5077522 0.80 ALDH1A1 (0.62) CASRALDH1A1HSD17B10RAB9ASMN1; SMN2
SCHEMBL7438956 0.79 CASR (0.50) CASRALDH1A1USP2HSD17B10RAB9A
SCHEMBL7430630 0.79 RAB9A (0.48) CASRALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL7428258 0.78 RAB9A (0.53) ALDH1A1RAB9AMAPTHTTMEN1
SCHEMBL13804068 0.75 PHLPP2 (0.56) ALDH1A1SMN1; SMN2MAPTKDM4EMEN1
SCHEMBL7430657 0.75 ALDH1A1 (0.47) CASRALDH1A1USP2HSD17B10RAB9A

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