SCHEMBL9514535

SCHEMBL9514535

CS(=O)(=O)O/C=C(\C#N)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 8/20 0.43
MAPT P10636 6/20 0.43
RAB9A P51151 6/20 0.43
MAPK1 P28482 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
NPC1 O15118 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PTGS2 P35354 1/20 0.36
XBP1 P17861 1/20 0.36

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
SCHEMBL9514545 1.00 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MAPTRAB9AMAPK1
SCHEMBL9851108 0.85 CYP1A2 (0.41) SMN1; SMN2ALDH1A1MAPTRAB9AMAPK1
SCHEMBL9851102 0.83 NPSR1 (0.42) SMN1; SMN2ALDH1A1MAPTRAB9AL3MBTL1
SCHEMBL9851110 0.83 MEN1 (0.42) SMN1; SMN2ALDH1A1MAPTRAB9AKMT2A
SCHEMBL9851106 0.83 MEN1 (0.42) SMN1; SMN2ALDH1A1MAPTRAB9AKMT2A
SCHEMBL9851100 0.81 MAPT (0.33) SMN1; SMN2ALDH1A1MAPTRAB9AKMT2A
SCHEMBL9851101 0.81 MAPT (0.33) SMN1; SMN2ALDH1A1MAPTRAB9AKMT2A
SCHEMBL3833202 0.81 PTGS2 (0.44) SMN1; SMN2ALDH1A1MAPTRAB9AMAPK1
SCHEMBL3833204 0.81 PTGS2 (0.44) SMN1; SMN2ALDH1A1MAPTRAB9AMAPK1
SCHEMBL9409165 0.78 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1MAPTRAB9AMAPK1

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-0439421-A1 Microbicidal agents CIBA-GEIGY AG (CH) 1991-07-31 EP claimed
JP-5017429-A None JP disclosed
JP-H0517429-A MICROBICIDAL AGENT COMPOSITION CIBA GEIGY AG 1993-01-26 JP disclosed
EP-0439421-A1 Microbicidal agents CIBA-GEIGY AG (CH) 1991-07-31 EP disclosed