SCHEMBL9506024

SCHEMBL9506024

CN(C)S(=O)(=O)n1c(C#N)nc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.64
ALDH3A1 P30838 4/20 0.40
TSHR P16473 1/20 0.40
NOD1 Q9Y239 6/20 0.39
CXCL8 P10145 4/20 0.39
GAA P10253 3/20 0.39
KDM4E B2RXH2 2/20 0.39
NOD2 Q9HC29 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 4/20 0.36
HTT P42858 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
PSMB8 P28062 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
SCHEMBL9077271 0.81 SMN1; SMN2 (0.42) SMN1; SMN2ALDH3A1GAAKDM4ELMNA
SCHEMBL9074842 0.81 SMN1; SMN2 (0.42) SMN1; SMN2ALDH3A1GAAKDM4ELMNA
SCHEMBL10829260 0.80 SMN1; SMN2 (0.42) SMN1; SMN2GAAKDM4ELMNAALDH1A1
SCHEMBL10828297 0.80 SMN1; SMN2 (0.42) SMN1; SMN2TSHRGAAKDM4ELMNA
SCHEMBL10828309 0.80 SMN1; SMN2 (0.42) SMN1; SMN2TSHRGAAKDM4ELMNA
SCHEMBL10828311 0.80 SMN1; SMN2 (0.42) SMN1; SMN2LMNAALDH1A1HTTHPGD
SCHEMBL9394279 0.80 NOD1 (0.42) SMN1; SMN2ALDH3A1TSHRNOD1CXCL8
SCHEMBL9200415 0.79 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EUSP2LMNAALDH1A1
SCHEMBL10832016 0.79 SMN1; SMN2 (0.43) SMN1; SMN2TSHRGAAKDM4EALDH1A1
SCHEMBL10831689 0.79 SMN1; SMN2 (0.43) SMN1; SMN2TSHRGAAKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5001068-A None JP disclosed
JP-H051068-A BENZIMIDAZOLE DERIVATIVE, ITS PRODUCTION AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE CONTAINING THE DERIVATIVE AS ACTIVE COMPONENT SUMITOMO CHEM CO LTD 1993-01-08 JP disclosed
US-4536502-A PESTICIDES, MITICIDES RHONE-POULENC AGROCHIMIE (FR) 1985-08-20 US disclosed