SCHEMBL10765137

SCHEMBL10765137

CS(=O)(=O)c1ccc(-c2nc3cc(C#N)ccc3[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.57
▸ RHEB Q15382 1/20 0.53
▸ SCD O00767 9/20 0.53
▸ NPBWR1 P48145 1/20 0.52
▸ PKN1 Q16512 1/20 0.50
▸ PKN2 Q16513 1/20 0.50
▸ MEN1 O00255 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ FADS1 O60427 1/20 0.47

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
SCHEMBL1842216 0.82 PKN1 (0.59) RHEBNPBWR1PKN1PKN2MEN1
SCHEMBL11021893 0.80 ATR (0.44) ATRSCDNPBWR1
SCHEMBL10765448 0.80 ATR (0.44) ATRSCDNPBWR1
SCHEMBL19994470 0.80 RHEB (0.59) ATRRHEBNPBWR1PKN1PKN2
SCHEMBL8412123 0.80 RHEB (0.59) RHEBSCDNPBWR1PKN1PKN2
SCHEMBL1842081 0.80 RHEB (0.59) RHEBPKN1PKN2MEN1NPC1
SCHEMBL3333407 0.80 RHEB (0.68) RHEBNPBWR1PKN1PKN2MEN1
SCHEMBL19994459 0.80 NPC1 (0.61) RHEBNPBWR1PKN1PKN2MEN1
SCHEMBL30343718 0.80 NPC1 (0.61) RHEBNPBWR1PKN1PKN2MEN1
SCHEMBL10759909 0.80 RHEB (0.53) ATRRHEBPKN1PKN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0209707-A2 2-Aryl imidazoles, pharmaceutical compositions containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1987-01-28 — — EP disclosed
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