SCHEMBL9206758

SCHEMBL9206758

CN(C)S(=O)(=O)n1c(C#N)nc2cc(Cl)c(C(=O)c3ccccc3)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
C5AR1 P21730 1/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CASP1 P29466 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
TSHR P16473 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
RAB9A P51151 1/20 0.33
MGAM O43451 1/20 0.33
AMY1A P0DUB6 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33

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
SCHEMBL9206612 0.96 SMN1; SMN2 (0.37) SMN1; SMN2C5AR1HPGDKDM4ECYP1A2
SCHEMBL9074842 0.75 SMN1; SMN2 (0.42) SMN1; SMN2HPGDKDM4EALDH1A1GAA
SCHEMBL9077271 0.75 SMN1; SMN2 (0.42) SMN1; SMN2HPGDKDM4ECYP1A2ALDH1A1
SCHEMBL9506024 0.74 SMN1; SMN2 (0.64) SMN1; SMN2HPGDKDM4EALDH1A1GAA
SCHEMBL10828309 0.74 SMN1; SMN2 (0.42) SMN1; SMN2KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL10828311 0.72 SMN1; SMN2 (0.42) SMN1; SMN2HPGDALDH1A1HTTL3MBTL1
SCHEMBL10828297 0.72 SMN1; SMN2 (0.42) SMN1; SMN2HPGDKDM4ECYP1A2CYP2C19
SCHEMBL10829260 0.72 SMN1; SMN2 (0.42) SMN1; SMN2HPGDKDM4EALDH1A1GAA
SCHEMBL10832908 0.70 SMN1; SMN2 (0.33) SMN1; SMN2KDM4EGAAPSMB8
SCHEMBL9386160 0.70 SMN1; SMN2 (0.36) SMN1; SMN2HPGDKDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0656891-A1 BENZIMIDAZOLE DERIVATIVES AS MICROBICIDES CIBA-GEIGY AG (CH) 1995-06-14 EP claimed
WO-1994004509-A1 BENZIMIDAZOLE DERIVATIVES AS MICROBICIDES CIBA-GEIGY AG (CH) 1994-03-03 WO claimed
EP-0656891-A1 BENZIMIDAZOLE DERIVATIVES AS MICROBICIDES CIBA-GEIGY AG (CH) 1995-06-14 EP disclosed
WO-1994004509-A1 BENZIMIDAZOLE DERIVATIVES AS MICROBICIDES CIBA-GEIGY AG (CH) 1994-03-03 WO disclosed