SCHEMBL7983540

SCHEMBL7983540

Cc1nsc(NC(=O)Cc2ccc3oc(CC(C)(C)C=O)nc3c2)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
KDR P35968 3/20 0.37
TP53 P04637 2/20 0.37
P2RY14 Q15391 5/20 0.37
RXFP1 Q9HBX9 2/20 0.37
HPSE Q9Y251 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
PPARG P37231 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NR2E3 Q9Y5X4 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
MAPT P10636 2/20 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
SCHEMBL7994270 0.92 GAA (0.39) GAAKDRTP53P2RY14RXFP1
SCHEMBL5735113 0.92 GAA (0.43) GAAKDRTP53P2RY14RXFP1
SCHEMBL6790398 0.89 GAA (0.50) GAAKDRTP53P2RY14RXFP1
SCHEMBL7993931 0.89 GAA (0.41) GAAKDRTP53P2RY14RXFP1
SCHEMBL7994435 0.88 GAA (0.37) GAAKDRTP53P2RY14RXFP1
SCHEMBL7994433 0.88 GAA (0.37) GAAKDRTP53P2RY14RXFP1
SCHEMBL8001808 0.88 GAA (0.42) GAAKDRTP53P2RY14RXFP1
SCHEMBL7997959 0.83 KDR (0.43) KDRTP53P2RY14RXFP1HPSE
SCHEMBL7995977 0.83 ACLY (0.39) GAAKDRTP53P2RY14RXFP1
SCHEMBL5775077 0.81 KDM4E (0.37) KDRTP53P2RY14RXFP1KDM4E

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-2001055145-A1 AZINE DERIVATIVES AS PESTICIDES SYNGENTA LIMITED (GB) 2001-08-02 WO disclosed