SCHEMBL7984012

SCHEMBL7984012

CCCc1cnc2cc(CC(=O)Nc3snc(C)c3Cl)ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.37
CSNK1D P48730 5/20 0.37
RIOK2 Q9BVS4 3/20 0.36
GSK3A P49840 2/20 0.36
MAPK10 P53779 2/20 0.36
MAPK8 P45983 1/20 0.36
HIPK1 Q86Z02 1/20 0.36
SNRK Q9NRH2 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAOB P27338 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
GLS O94925 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35

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
SCHEMBL7984009 0.84 CACNA1H (0.38) CSNK1DRIOK2GSK3AMAPK10MAPK8
SCHEMBL7996112 0.81 RAB9A (0.51) CSNK1DRIOK2GSK3AMAPK10MAPK8
SCHEMBL7997967 0.80 KDM4E (0.41) CSNK1DMAPK10KDM4EALDH1A1GAA
SCHEMBL7998415 0.77 KDM4E (0.39) CSNK1DMAPK10KDM4EALDH1A1GAA
SCHEMBL7997945 0.77 SMN1; SMN2 (0.36) CSNK1DMAPK10KDM4EALDH1A1GAA
SCHEMBL6100730 0.76 MAPT (0.40) CSNK1DKDM4EALDH1A1GAA
SCHEMBL7978072 0.74 ALDH1A1 (0.37) TRPV1CSNK1DALDH1A1RAB9A
SCHEMBL7232438 0.74 GLS (0.43) MAPK8KDM4EALDH1A1GAAGLS
SCHEMBL7994360 0.73 GAA (0.47) TRPV1KDM4EALDH1A1GAAMAOB
SCHEMBL7998311 0.73 GLS (0.44) MAPK8KDM4EALDH1A1GAAGLS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001055140-A1 ISOTHIAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES SYNGENTA LIMITED (GB) 2001-08-02 WO disclosed