SCHEMBL3126129

SCHEMBL3126129

O=C(Nc1ccc2nc3cnccn3c2c1)c1cc2cc(F)ccc2n1Cc1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.48
ECE1 P42892 7/20 0.42
F10 P00742 4/20 0.41
CCR2 P41597 1/20 0.40
IDO1 P14902 1/20 0.39
TP53 P04637 2/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ABCB1 P08183 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
Hydrochloric Acid SCHEMBL831780 0.99 MAOB (0.47) MAOBECE1F10CCR2IDO1
SCHEMBL833415 0.84 MAOB (0.45) MAOBECE1F10CCR2PTGDR2
SCHEMBL832764 0.83 ECE1 (0.46) MAOBECE1F10CCR2PTGDR2
SCHEMBL832765 0.83 ECE1 (0.44) MAOBECE1F10CCR2TP53
SCHEMBL3153257 0.82 MAOB (0.53) MAOBECE1F10CCR2IDO1
SCHEMBL3153688 0.82 MAOB (0.53) MAOBECE1F10IDO1
SCHEMBL3148861 0.82 MAOB (0.50) MAOBECE1F10CCR2PTGDR2
SCHEMBL3150006 0.80 MAOB (0.49) MAOBECE1F10CCR2MAPT
SCHEMBL3158981 0.79 ECE1 (0.47) MAOBECE1F10CCR2TP53
SCHEMBL3158017 0.78 MAOB (0.47) MAOBECE1F10CCR2PTGDR2

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