SCHEMBL5207022

SCHEMBL5207022

Cc1ccccc1C(=O)Nc1ccc2[nH]c(-c3ccccc3)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
HPGD P15428 3/20 0.54
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
NAMPT P43490 1/20 0.53
KCNK3 O14649 1/20 0.52
KCNK9 Q9NPC2 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
KIT P10721 2/20 0.50
NR2E3 Q9Y5X4 1/20 0.50
VCP P55072 1/20 0.50
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
KCNQ2 O43526 1/20 0.49

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
SCHEMBL5207314 0.85 JAK2 (0.60) MAOBNPC1RAB9ANAMPTKCNK3
SCHEMBL5208301 0.85 KCNK3 (0.57) NPC1RAB9AKCNK3KCNK9MEN1
SCHEMBL15060321 0.82 NAMPT (0.59) MAOAMAOBHPGDNPC1RAB9A
SCHEMBL4487453 0.81 KIT (0.74) HPGDKIT
SCHEMBL14182736 0.80 MAOA (0.67) MAOAMAOBNPC1RAB9ANAMPT
SCHEMBL5210856 0.78 KCNQ2 (0.55) MAOAMAOBHPGDNPC1RAB9A
SCHEMBL3208413 0.77 F2 (0.56) MAOAMAOBNPC1RAB9ANAMPT
SCHEMBL14182739 0.74 MAOA (0.59) MAOAMAOBHPGDNPC1RAB9A
SCHEMBL14182769 0.74 KCNQ2 (0.64) MAOAMAOBNPC1RAB9AKCNK9
SCHEMBL14182634 0.73 GRM4 (0.53) NPC1RAB9ANAMPTKCNK3KCNK9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1833829-A2 BENZAMIDE SUBSTITUTED IMIDAZO- AND PYRROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F. Hoffmann-Roche AG (CH) 2007-09-19 EP disclosed
WO-2006066913-A2 BENZAMIDE SUBSTITUTED IMIDAZO- AND PYROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO disclosed