SCHEMBL7834258

SCHEMBL7834258

O=S(=O)(NCc1nc2cc(-n3ccnc3)ccc2[nH]1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 1/20 0.50
F9 P00740 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CBFB Q13951 1/20 0.41
LMNA P02545 1/20 0.40
MAOA P21397 3/20 0.39
MAOB P27338 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
IDH1 O75874 1/20 0.39
FGFR1 P11362 1/20 0.38

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 SCHEMBL7834145 0.99 SMN1; SMN2 (0.49) SMN1; SMN2GAAF9CYP19A1CYP11B1
SCHEMBL7834266 0.92 SMN1; SMN2 (0.50) SMN1; SMN2GAAF9CYP19A1CYP11B1
Hydrochloric Acid SCHEMBL7837257 0.91 SMN1; SMN2 (0.49) SMN1; SMN2GAAF9CYP19A1CYP11B1
SCHEMBL7821635 0.84 POLB (0.46) F9CYP19A1CYP11B1CYP11B2CBFB
SCHEMBL7822768 0.82 IDH1 (0.48) F9CYP19A1CYP11B1CYP11B2CBFB
SCHEMBL7835277 0.80 F9 (0.41) F9CYP19A1CYP11B1CYP11B2CBFB
SCHEMBL7836354 0.80 CYP4Z1 (0.55) SMN1; SMN2F9CBFB
Hydrochloric Acid SCHEMBL8148418 0.79 CYP4Z1 (0.54) SMN1; SMN2F9CBFB
SCHEMBL7834248 0.78 F9 (0.46) F9CYP19A1CYP11B1CYP11B2CBFB
SCHEMBL7407358 0.77 CBFB (0.50) GAAF9CYP19A1CYP11B1CYP11B2

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 4 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 claimed
EP-0894795-A1 Benzimidazole, benzoxazole and benzothiazole derivatives, their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-02-03 EP claimed
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