SCHEMBL9172108

SCHEMBL9172108

N#Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PSMB8 P28062 1/20 0.36
▸ CACNA1H O95180 12/20 0.36
▸ CACNA1C Q13936 5/20 0.36
▸ CACNA1B Q00975 4/20 0.36
▸ DGAT1 O75907 2/20 0.35
▸ SOAT1 P35610 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ XDH P47989 1/20 0.34
▸ CACNA1G O43497 4/20 0.33
▸ AR P10275 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ GLA P06280 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CTSS P25774 1/20 0.31
▸ CTSK P43235 1/20 0.31

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
SCHEMBL17137712 0.84 CACNA1H (0.36) CACNA1HCACNA1CCACNA1BCACNA1GKDM4E
SCHEMBL11716667 0.76 CACNA1H (0.40) CACNA1HCACNA1CCACNA1BXDHCACNA1G
SCHEMBL12020771 0.76 MAPT (0.42) CACNA1HCACNA1CCACNA1BCACNA1GKDM4E
SCHEMBL8872748 0.76 CACNA1H (0.39) CACNA1HCACNA1CCACNA1BDGAT1KCNH2
SCHEMBL9172104 0.75 CACNA1H (0.56) CACNA1HCACNA1CCACNA1BCACNA1G
SCHEMBL10284436 0.73 CACNA1H (0.40) CACNA1HCACNA1CCACNA1BCACNA1GKDM4E
SCHEMBL10959414 0.73 PSMB8 (0.47) PSMB8DGAT1SOAT1KCNH2KDM4E
SCHEMBL12495908 0.72 CACNA1H (0.42) CACNA1HCACNA1CCACNA1BCACNA1G
SCHEMBL15843980 0.72 CACNA1H (0.56) CACNA1HCACNA1CCACNA1BCACNA1G
SCHEMBL18659788 0.72 SCN10A (0.38) CACNA1HCACNA1CCACNA1BCACNA1GKDM4E

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
EP-0650479-A1 BENZIMIDAZOLE DERIVATIVES AS MICROBICIDES CIBA-GEIGY AG (CH) 1995-05-03 — — EP disclosed
WO-1994001411-A1 BENZIMIDAZOLE DERIVATIVES AS MICROBICIDES CIBA-GEIGY AG (CH) 1994-01-20 — — WO disclosed
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