SCHEMBL7994622

SCHEMBL7994622

Cc1nsc(NC(=O)C(C=O)c2ccc(N)cc2)c1Cl.[NaH]

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 6/20 0.32
ENPP3 O14638 1/20 0.32
ALPL P05186 1/20 0.32
ENPP1 P22413 1/20 0.32
XIAP P98170 1/20 0.32
NTRK1 P04629 6/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL5736347 0.72 MAPT (0.44) FFAR2NTRK1ALDH1A1
Bromide SCHEMBL8001925 0.70 MAPT (0.42) FFAR2NTRK1ALDH1A1
SCHEMBL7994626 0.69 GLS (0.42) FFAR2ALDH1A1
SCHEMBL7998418 0.63 MAPT (0.33) ALDH1A1
SCHEMBL7230936 0.60 GAA (0.47) ALDH1A1
SCHEMBL7735892 0.59 RAB9A (0.46) FFAR2ALDH1A1
SCHEMBL30933980 0.57 LMNA (0.35) ALDH1A1
SCHEMBL10706511 0.55 FFAR2 (0.70) FFAR2
SCHEMBL27964745 0.55 L3MBTL1 (0.47) FFAR2
SCHEMBL11195979 0.54 MAPT (0.35) ALDH1A1

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