SCHEMBL7435480

SCHEMBL7435480

Cc1c(NC(=O)C(CSC(=O)c2cccs2)Cc2ccccc2)cccc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
ALDH1A1 P00352 4/20 0.43
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 3/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ADAM17 P78536 1/20 0.40
ATM Q13315 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
TSHR P16473 1/20 0.39
USP30 Q70CQ3 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL7438795 0.87 ALDH1A1 (0.47) NPC1RAB9AALDH1A1CYP2C9KMT2A
SCHEMBL7432504 0.86 RAB9A (0.48) NPC1RAB9AALDH1A1CYP2C9KMT2A
SCHEMBL7430329 0.84 CYP2C9 (0.51) NPC1RAB9AALDH1A1CYP2C9KMT2A
SCHEMBL7432759 0.83 ALDH1A1 (0.48) NPC1RAB9AALDH1A1CYP2C9KMT2A
SCHEMBL7429403 0.83 ALDH1A1 (0.47) NPC1RAB9AALDH1A1CYP2C9KMT2A
SCHEMBL7437062 0.83 ALDH1A1 (0.47) NPC1RAB9AALDH1A1CYP2C9KMT2A
SCHEMBL7432768 0.83 ALDH1A1 (0.52) NPC1RAB9AALDH1A1CYP2C9KMT2A
SCHEMBL7429657 0.82 ALDH1A1 (0.46) NPC1RAB9AALDH1A1CYP2C9KMT2A
SCHEMBL7433885 0.82 ALDH1A1 (0.46) NPC1RAB9AALDH1A1CYP2C9KMT2A
SCHEMBL7430174 0.81 ALDH1A1 (0.45) NPC1RAB9AALDH1A1CYP2C9KMT2A

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