SCHEMBL7832392

SCHEMBL7832392

Oc1ccc(SCc2nc3ccc(-n4ccnc4)cc3[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 1/20 0.47
ENPP2 Q13822 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
FGFR1 P11362 2/20 0.44
FLT1 P17948 1/20 0.44
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
USP2 O75604 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
F9 P00740 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 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
SCHEMBL7832389 0.91 ENPP2 (0.47) CBFBENPP2MKNK1MKNK2FGFR1
SCHEMBL7821991 0.89 NPC1 (0.55) CBFBFGFR1FLT1ALDH1A1NPC1
Hydrochloric Acid SCHEMBL8155594 0.88 NPC1 (0.54) CBFBFGFR1FLT1ALDH1A1NPC1
SCHEMBL7834577 0.86 CYP11B1 (0.51) CBFBFGFR1FLT1ALDH1A1NPC1
SCHEMBL7822236 0.85 TNIK (0.45) CBFBFGFR1FLT1ALDH1A1GAA
Hydrochloric Acid SCHEMBL8143148 0.84 TNIK (0.44) CBFBFGFR1FLT1ALDH1A1GAA
SCHEMBL7833722 0.84 CBFB (0.49) CBFBENPP2MKNK1MKNK2FGFR1
SCHEMBL7833700 0.83 CBFB (0.43) CBFBFGFR1FLT1ALDH1A1NPC1
SCHEMBL7821986 0.80 NPC1 (0.55) CBFBFGFR1FLT1ALDH1A1NPC1
SCHEMBL7833198 0.80 CBFB (0.49) CBFBFGFR1FLT1ALDH1A1GAA

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