SCHEMBL7835280

SCHEMBL7835280

O=S(=O)(Cc1nc2ccc(-n3ccnc3)cc2[nH]1)Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 1/20 0.50
FGFR1 P11362 1/20 0.47
FLT1 P17948 1/20 0.47
GRIN1 Q05586 6/20 0.43
GRIN2B Q13224 6/20 0.43
MAOA P21397 3/20 0.42
MAOB P27338 3/20 0.42
F9 P00740 1/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 2/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.40

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
SCHEMBL7835277 0.92 F9 (0.41) CBFBFGFR1FLT1GRIN1GRIN2B
SCHEMBL7821641 0.84 CBFB (0.53) CBFBFGFR1FLT1GRIN1GRIN2B
SCHEMBL7834250 0.82 CBFB (0.52) CBFBFGFR1FLT1MAOAMAOB
SCHEMBL7822772 0.82 CBFB (0.55) CBFBFGFR1FLT1MAOAMAOB
SCHEMBL7822350 0.80 ALDH1A1 (0.50) CBFBFGFR1FLT1MAOAMAOB
SCHEMBL7834266 0.80 SMN1; SMN2 (0.50) CBFBFGFR1FLT1GRIN1GRIN2B
Hydrochloric Acid SCHEMBL7837257 0.79 SMN1; SMN2 (0.49) CBFBFGFR1FLT1GRIN1GRIN2B
SCHEMBL8143474 0.77 ADRB1 (0.49) CBFBGRIN1GRIN2BF9LMNA
SCHEMBL7821635 0.76 POLB (0.46) CBFBFGFR1FLT1MAOAMAOB
SCHEMBL7836360 0.76 SMN1; SMN2 (0.62) CBFBFGFR1FLT1F9TSHR

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