SCHEMBL7435388

SCHEMBL7435388

COc1ccc(CC(CS)C(=O)Nc2cccc(C(=O)O)c2)cc1.[NaH]

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MITF O75030 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
PPARA Q07869 1/20 0.52
POLB P06746 1/20 0.50
ACE P12821 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
HSD17B10 Q99714 1/20 0.48
FOLH1 Q04609 1/20 0.48

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
SCHEMBL7433519 0.99 NPC1 (0.53) NPC1RAB9AMITFSMN1; SMN2MEN1
SCHEMBL7435384 0.88 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2APOLBACE
SCHEMBL7434454 0.87 FOLH1 (0.59) NPC1RAB9AMITFMEN1KMT2A
SCHEMBL7427703 0.86 FOLH1 (0.52) MEN1KMT2AALDH1A1FOLH1
SCHEMBL391430 0.86 FOLH1 (0.60) NPC1RAB9AMITFMEN1KMT2A
SCHEMBL7429797 0.85 PPARA (0.48) NPC1RAB9AMITFSMN1; SMN2MEN1
SCHEMBL7431596 0.84 NPC1 (0.49) NPC1RAB9AMITFSMN1; SMN2MEN1
SCHEMBL7435223 0.84 FOLH1 (0.52) PPARAALDH1A1FOLH1
SCHEMBL27537189 0.84 RAB9A (0.56) NPC1RAB9AMITFSMN1; SMN2MEN1
SCHEMBL7431248 0.83 FOLH1 (0.49) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5210266-A Analgesic enkephalinase inhibitors DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1993-05-11 US disclosed
US-5179125-A Analgesics DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1993-01-12 US disclosed
EP-0318859-A2 N-substituted mercaptopropanamide derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1989-06-07 EP disclosed