SCHEMBL7836836

SCHEMBL7836836

Cc1cc(C)c(OCc2nc3cc(-n4ccnc4)ccc3[nH]2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.44
KMT2A Q03164 2/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CBFB Q13951 1/20 0.40
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
MEN1 O00255 1/20 0.39
CYP19A1 P11511 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36

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 SCHEMBL8142674 0.99 F9 (0.44) F9KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7836840 0.92 CBFB (0.49) F9KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7832653 0.92 F9 (0.44) F9KMT2ANPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL8155873 0.91 F9 (0.44) F9KMT2ANPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL8142676 0.91 CBFB (0.48) F9KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7833671 0.84 NPC1 (0.43) F9NPC1RAB9ASMN1; SMN2CBFB
SCHEMBL7830706 0.83 NPC1 (0.46) F9NPC1RAB9ASMN1; SMN2CBFB
SCHEMBL7833040 0.83 CBFB (0.42) F9NPC1RAB9ASMN1; SMN2CBFB
SCHEMBL7832655 0.83 CBFB (0.52) F9KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7834174 0.83 F9 (0.44) F9NPC1RAB9ASMN1; SMN2CBFB

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