SCHEMBL3122827

SCHEMBL3122827

CC1CCNc2nc3ccc(NC(=O)c4cc5cc(F)ccc5n4Cc4cccc(F)c4)cc3n21

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 1/20 0.43
ECE1 P42892 10/20 0.41
F10 P00742 3/20 0.40
PTGDR2 Q9Y5Y4 4/20 0.39
MAOB P27338 1/20 0.38
ABCB1 P08183 1/20 0.38

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
Hydrochloric Acid SCHEMBL831895 0.99 RPS6KA2 (0.42) RPS6KA2ECE1F10PTGDR2MAOB
SCHEMBL833601 0.92 ECE1 (0.42) RPS6KA2ECE1F10PTGDR2MAOB
SCHEMBL832105 0.79 ECE1 (0.41) ECE1F10PTGDR2MAOBABCB1
SCHEMBL3148861 0.79 MAOB (0.50) ECE1F10PTGDR2MAOBABCB1
SCHEMBL831603 0.78 ECE1 (0.41) ECE1F10PTGDR2MAOBABCB1
SCHEMBL3158981 0.77 ECE1 (0.47) ECE1F10PTGDR2MAOB
SCHEMBL3150006 0.77 MAOB (0.49) ECE1F10MAOB
SCHEMBL3153583 0.77 ECE1 (0.48) ECE1F10PTGDR2MAOBABCB1
SCHEMBL833415 0.76 MAOB (0.45) ECE1F10PTGDR2MAOBABCB1
SCHEMBL3158442 0.76 TP53 (0.48) ECE1F10MAOB

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-1987010-B1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI AVENTIS (FR) 2010-04-07 EP disclosed