SCHEMBL9200415

SCHEMBL9200415

CN(C)S(=O)(=O)n1c(C#N)nc2ccc(C(=O)c3ccccc3)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 2/20 0.41
PI4KB Q9UBF8 1/20 0.41
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP7 P55210 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
GLA P06280 1/20 0.39
PGR P06401 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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 0.84 SMN1; SMN2 (0.37) SMN1; SMN2KDM4EMAPTALDH1A1HTT
SCHEMBL9206758 0.84 SMN1; SMN2 (0.37) SMN1; SMN2KDM4EMAPTALDH1A1HTT
SCHEMBL11148552 0.83 PI4KB (0.53) SMN1; SMN2KDM4EMAPTPI4KBALDH1A1
SCHEMBL9276931 0.81 SMN1; SMN2 (0.36) SMN1; SMN2KDM4EMAPTPI4KBALDH1A1
SCHEMBL9506024 0.79 SMN1; SMN2 (0.64) SMN1; SMN2KDM4EALDH1A1LMNAHTT
SCHEMBL10828309 0.79 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EPI4KBALDH1A1LMNA
SCHEMBL10828311 0.79 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1LMNAHTTHPGD
SCHEMBL9074842 0.77 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EMAPTALDH1A1LMNA
SCHEMBL11013912 0.74 S1PR1 (0.42) SMN1; SMN2KDM4E
SCHEMBL4880923 0.74 PI4KB (0.53) SMN1; SMN2KDM4EPI4KBMEN1KMT2A

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-0656891-A1 BENZIMIDAZOLE DERIVATIVES AS MICROBICIDES CIBA-GEIGY AG (CH) 1995-06-14 EP claimed
EP-0656891-A1 BENZIMIDAZOLE DERIVATIVES AS MICROBICIDES CIBA-GEIGY AG (CH) 1995-06-14 EP disclosed