SCHEMBL7432504

SCHEMBL7432504

Cc1c(NC(=O)C(CSC(=O)Cc2cccs2)Cc2ccccc2)cccc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
ALDH1A1 P00352 2/20 0.43
POLB P06746 3/20 0.40
MEN1 O00255 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
CYP2C9 P11712 1/20 0.39
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
HPGD P15428 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
SCHEMBL7432768 0.88 ALDH1A1 (0.52) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL7435480 0.86 NPC1 (0.56) RAB9ANPC1ALDH1A1POLBMEN1
SCHEMBL7437062 0.84 ALDH1A1 (0.47) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL7430174 0.82 ALDH1A1 (0.45) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL9456519 0.82 ALDH1A1 (0.45) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL7430329 0.82 CYP2C9 (0.51) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL7440614 0.82 ALDH1A1 (0.47) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL7438795 0.80 ALDH1A1 (0.47) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL7429403 0.80 ALDH1A1 (0.47) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL7439298 0.80 MEN1 (0.46) RAB9ANPC1ALDH1A1MEN1KMT2A

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