SCHEMBL9744730

SCHEMBL9744730

Clc1cccc2nc(SCCN3CCOCC3)sc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.56
HSP90AB1 P08238 1/20 0.56
ALOX5 P09917 1/20 0.48
RAB9A P51151 1/20 0.48
USP2 O75604 2/20 0.44
PDE10A Q9Y233 1/20 0.42
CYP2A13 Q16696 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPK1 P28482 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
GAA P10253 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
PSMB8 P28062 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL9746266 0.81 CASR (0.46) HSP90AA1HSP90AB1RAB9AUSP2CYP2A13
SCHEMBL9206848 0.77 PDK1 (0.50) RAB9AUSP2PDE10AALDH1A1HSD17B10
SCHEMBL9743754 0.76 TMEM97 (0.68) ALOX5RAB9AUSP2ALDH1A1HSD17B10
SCHEMBL9744032 0.76 TMEM97 (0.56) USP2ALDH1A1TP53MAPTGAA
SCHEMBL9744020 0.75 HSP90AA1 (0.46) HSP90AA1HSP90AB1USP2CYP2A13ALDH1A1
SCHEMBL9216935 0.73 TMEM97 (0.44) HSP90AA1RAB9AUSP2ALDH1A1MAPK1
SCHEMBL5133332 0.73 HSP90AA1 (1.00) HSP90AA1HSP90AB1
SCHEMBL9214919 0.72 USP2 (0.47) RAB9AUSP2ALDH1A1HSD17B10MAPK1
SCHEMBL9742816 0.71 TMEM97 (0.50) RAB9AUSP2ALDH1A1HSD17B10MAPK1
Fopirtoline SCHEMBL287363 0.70 RAB9A (0.49) HSP90AA1RAB9APDE10ACYP2A13ALDH1A1

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