SCHEMBL7997967

SCHEMBL7997967

Cc1nc2ccc(CC(=O)Nc3snc(C)c3Cl)cc2nc1C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
CSNK1D P48730 7/20 0.40
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPK10 P53779 1/20 0.38
MAPT P10636 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL7998415 0.97 KDM4E (0.39) KDM4EALDH1A1GAACSNK1DLMNA
SCHEMBL7996112 0.85 RAB9A (0.51) KDM4EALDH1A1GAACSNK1DLMNA
SCHEMBL7997959 0.83 KDR (0.43) KDM4EALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL7997945 0.83 SMN1; SMN2 (0.36) KDM4EALDH1A1GAACSNK1DLMNA
SCHEMBL6100730 0.82 MAPT (0.40) KDM4EALDH1A1GAACSNK1DSMN1; SMN2
SCHEMBL7232438 0.81 GLS (0.43) KDM4EALDH1A1GAALMNASMN1; SMN2
SCHEMBL7998311 0.80 GLS (0.44) KDM4EALDH1A1GAASMN1; SMN2MAPT
SCHEMBL7230936 0.80 GAA (0.47) ALDH1A1GAACSNK1D
SCHEMBL7984009 0.80 CACNA1H (0.38) CSNK1DMAPK10RAB9A
SCHEMBL7984012 0.80 TRPV1 (0.37) KDM4EALDH1A1GAACSNK1DMAPK10

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