SCHEMBL9077201

SCHEMBL9077201

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
GLP1R P43220 7/20 0.35
PSMB8 P28062 1/20 0.35
PTPN1 P18031 1/20 0.32
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 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
SCHEMBL9074842 0.84 SMN1; SMN2 (0.42) KDM4EGAASMN1; SMN2PSMB8PTPN1
SCHEMBL9077271 0.84 SMN1; SMN2 (0.42) KDM4EGAASMN1; SMN2PSMB8MEN1
SCHEMBL9394282 0.84 KDM4E (0.33) KDM4EGAASMN1; SMN2
SCHEMBL9206758 0.82 SMN1; SMN2 (0.37) KDM4EGAASMN1; SMN2PSMB8MEN1
SCHEMBL10832908 0.81 SMN1; SMN2 (0.33) KDM4EGAASMN1; SMN2GLP1RPSMB8
SCHEMBL10832380 0.81 KDM4E (0.36) KDM4EGAASMN1; SMN2
SCHEMBL1193260 0.81 SMN1; SMN2 (0.45) KDM4EGAASMN1; SMN2GLP1RPTPN1
SCHEMBL9506024 0.77 SMN1; SMN2 (0.64) KDM4EGAASMN1; SMN2PSMB8ALDH1A1
SCHEMBL6991338 0.77 KDM4E (0.36) KDM4EGAASMN1; SMN2
SCHEMBL11013912 0.76 S1PR1 (0.42) KDM4EGAASMN1; SMN2

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
US-5571830-A FUNGICIDES, INSECTICIDES, NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-11-05 US disclosed
US-5510364-A FUNGICIDES, INSECTICIDES, NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-04-23 US disclosed
EP-0545204-A1 2-cyanobenzimidazoles, process for their preparation and their use in agriculture and new precursors BAYER AG (DE) 1993-06-09 EP disclosed
US-4780473-A BENZIMIDAZOLE OR IMIDAZOPYRIDINE DERIVATIVES SCHERING AGROCHEMICALS LTD. (GB) 1988-10-25 US disclosed