SCHEMBL7833749

SCHEMBL7833749

CN(Cc1nc2cc(-n3ccnc3)ccc2[nH]1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAOA P21397 4/20 0.45
MAOB P27338 4/20 0.45
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
CYP19A1 P11511 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.43
CBFB Q13951 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
F9 P00740 1/20 0.42
FGFR1 P11362 1/20 0.41

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
SCHEMBL7833754 0.91 CBFB (0.54) MEN1KMT2AMAOAMAOBCYP11B1
SCHEMBL7833055 0.84 F9 (0.42) MAOAMAOBCYP11B1CYP11B2CYP19A1
SCHEMBL7822322 0.82 MAOA (0.45) MAOAMAOBCYP11B1CYP11B2CYP19A1
SCHEMBL7832807 0.81 CBFB (0.39) MAOAMAOBCYP11B1CYP11B2CYP19A1
SCHEMBL7407358 0.80 CBFB (0.50) MAOAMAOBCYP11B1CYP11B2CYP19A1
SCHEMBL7830531 0.79 MAOA (0.43) MAOAMAOBCYP11B1CYP11B2CYP19A1
SCHEMBL7821729 0.79 RAB9A (0.55) MEN1KMT2AMAOAMAOBCYP11B1
SCHEMBL7822768 0.79 IDH1 (0.48) MEN1KMT2AMAOAMAOBCYP11B1
SCHEMBL7821986 0.79 NPC1 (0.55) MEN1KMT2AMAOAMAOBCYP11B1
SCHEMBL7832837 0.78 MAOA (0.42) MAOAMAOBCYP11B1CYP11B2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0894795-B1 Benzimidazole, benzoxazole and benzothiazole derivatives, their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-06-06 EP disclosed
US-6040327-A INHIBITORS OF INTERLEUKINS; TREATING RHEUMATOID ARTHRITIS OR ARTHROSIS ADIR ET COMPAGNIE (FR) 2000-03-21 US disclosed
EP-0894795-A1 Benzimidazole, benzoxazole and benzothiazole derivatives, their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-02-03 EP disclosed