SCHEMBL9746266

SCHEMBL9746266

Clc1cccc2sc(SCCN3CCOCC3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.46
USP2 O75604 2/20 0.44
IDO1 P14902 1/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2A13 Q16696 1/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
TP53 P04637 1/20 0.41
SOAT1 P35610 1/20 0.41

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
SCHEMBL9744730 0.81 HSP90AA1 (0.56) USP2RAB9AMAPTCYP2A13HSP90AA1
SCHEMBL25212157 0.79 HPGD (0.63) CASRRAB9AMAPTNPC1LMNA
SCHEMBL9743754 0.76 TMEM97 (0.68) USP2RAB9AMAPTNPC1LMNA
SCHEMBL9744032 0.76 TMEM97 (0.56) CASRUSP2MAPTLMNAHPGD
SCHEMBL9743877 0.75 CASR (0.45) CASRUSP2IDO1RAB9AMAPT
SCHEMBL9214919 0.72 USP2 (0.47) USP2RAB9ALMNAHPGDALDH1A1
SCHEMBL10816690 0.72 LMNA (0.51) RAB9AMAPTNPC1LMNAHPGD
SCHEMBL9742816 0.71 TMEM97 (0.50) USP2RAB9ANPC1HPGDSMN1; SMN2
SCHEMBL7622009 0.71 PSMB8 (0.51) IDO1RAB9AMAPTNPC1LMNA
Fopirtoline SCHEMBL287363 0.70 RAB9A (0.49) RAB9AMAPTNPC1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5171746-A THIAZOLE AND IMIDAZOLE DERIVATIVES AND ANTIULCER COMPOSITION CONTAINING SAME MEIJI SEIKA KABUSHIKI KAISHA (JP) 1992-12-15 US disclosed
EP-0452076-A1 Thiazole and imidazole derivatives and antiulcer composition containing same MEIJI SEIKA KABUSHIKI KAISHA (JP) 1991-10-16 EP disclosed