SCHEMBL9519786

SCHEMBL9519786

CN(C)S(=O)(=O)n1c(Sc2ccccc2)cnc1C#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 5/20 0.34
L3MBTL1 Q9Y468 4/20 0.34
KDM4E B2RXH2 3/20 0.34
HTT P42858 1/20 0.33
CA2 P00918 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
HPGD P15428 2/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
CYP2D6 P10635 1/20 0.31
LMNA P02545 1/20 0.31
BCL2 P10415 1/20 0.30
PTGS1 P23219 1/20 0.30

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
SCHEMBL6427238 0.75 TSHR (0.35) TSHRSMN1; SMN2
SCHEMBL10828309 0.75 SMN1; SMN2 (0.42) TSHRMAOAMAOBSMN1; SMN2ALDH1A1
SCHEMBL10828297 0.75 SMN1; SMN2 (0.42) TSHRMAOAMAOBSMN1; SMN2ALDH1A1
SCHEMBL6428492 0.71 TSHR (0.43) TSHRSMN1; SMN2ALDH1A1L3MBTL1KDM4E
SCHEMBL9506024 0.66 SMN1; SMN2 (0.64) TSHRSMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL9323989 0.65 TSHR (0.49) TSHRSMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL19259649 0.64 MAP2K2 (0.44) TSHRMAOAMAOBSMN1; SMN2ALDH1A1
SCHEMBL10832016 0.63 SMN1; SMN2 (0.43) TSHRSMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL10831689 0.63 SMN1; SMN2 (0.43) TSHRSMN1; SMN2L3MBTL1KDM4ECYP2C19
SCHEMBL9390531 0.63 SMN1; SMN2 (0.37) SMN1; SMN2KDM4EGAA

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
EP-0298196-B1 IMIDAZOLE COMPOUNDS AND BIOCIDAL COMPOSITIONS COMPRISING THE SAME ISHIHARA SANGYO KAISHA, LTD. (JP) 1993-06-02 EP disclosed
US-4995898-A Imidazole compounds and biocidal composition comprising the same for controlling harmful organisms ISHIHARA SANGYO KAISHA, LTD. (JP) 1991-02-26 US disclosed
EP-0298196-A1 Imidazole compounds and biocidal compositions comprising the same ISHIHARA SANGYO KAISHA, LTD. (JP) 1989-01-11 EP disclosed