SCHEMBL7832698

SCHEMBL7832698

c1cn(-c2ccc3[nH]c(Cc4nnn[nH]4)nc3c2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.42
CBFB Q13951 1/20 0.39
CYP19A1 P11511 2/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
FGFR1 P11362 1/20 0.39
FLT1 P17948 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
PGR P06401 1/20 0.36
CHEK1 O14757 1/20 0.36
MAOA P21397 3/20 0.36
MAOB P27338 3/20 0.36
TBXAS1 P24557 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
CRBN Q96SW2 1/20 0.36
IDH1 O75874 1/20 0.35
ADH5 P11766 2/20 0.35

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
SCHEMBL7832709 0.91 CBFB (0.49) F9CBFBCYP19A1CYP11B1CYP11B2
SCHEMBL7407358 0.83 CBFB (0.50) F9CBFBCYP19A1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL8155236 0.78 F9 (0.46) F9CBFBCYP19A1CYP11B1CYP11B2
SCHEMBL7406663 0.78 F10 (0.54) F9
SCHEMBL7834503 0.76 CYP19A1 (0.43) F9CBFBCYP19A1CYP11B1CYP11B2
SCHEMBL7834248 0.75 F9 (0.46) F9CBFBCYP19A1CYP11B1CYP11B2
SCHEMBL7821729 0.73 RAB9A (0.55) CBFBCYP19A1CYP11B1CYP11B2NCOA3
SCHEMBL7822768 0.73 IDH1 (0.48) F9CBFBCYP19A1CYP11B1CYP11B2
SCHEMBL7821986 0.73 NPC1 (0.55) F9CBFBCYP19A1CYP11B1CYP11B2
SCHEMBL14162135 0.72 FGFR1 (0.49) F9CBFBCYP19A1CYP11B1CYP11B2

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-0894795-B1 Benzimidazole, benzoxazole and benzothiazole derivatives, their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-06-06 EP 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