SCHEMBL7477623

SCHEMBL7477623

Nc1[nH]nc(-c2ccc(F)cc2)c1C(=O)c1cccc(S(N)(=O)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 2/20 0.49
MAP2K7 O14733 1/20 0.46
CDK2 P24941 1/20 0.46
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA9 Q16790 3/20 0.43
TTK P33981 6/20 0.42
CA12 O43570 1/20 0.42
LRRK2 Q5S007 4/20 0.41
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40

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
SCHEMBL5762375 0.84 PBRM1 (0.44) MAP2K4CA1CA2CA9CA12
SCHEMBL7472841 0.83 HSD17B14 (0.44) MAP2K4
SCHEMBL1385903 0.83 PTGS2 (0.41) MAP2K4MAP2K7
SCHEMBL7480868 0.82 NPY5R (0.41) MAP2K4MAP2K7MAOB
SCHEMBL7474871 0.82 MAP2K4 (0.39) MAP2K4CA12
SCHEMBL7476723 0.82 PARP1 (0.40) MAP2K4
SCHEMBL5323714 0.82 MAPK14 (0.55) MAP2K4MAP2K7
SCHEMBL7477875 0.82 CA2 (0.48) MAP2K4MAP2K7CDK2CA1CA2
SCHEMBL7476607 0.81 MAPK1 (0.38) MAP2K4CA12
SCHEMBL7812428 0.80 MAPK14 (0.55) MAP2K4CDK2

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
EP-0509354-B1 Amino acid derivatives HOFFMANN LA ROCHE (CH) 2000-08-23 EP claimed