SCHEMBL7822772

SCHEMBL7822772

c1ccc(NCc2nc3ccc(-n4ccnc4)cc3[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 1/20 0.55
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
FGFR1 P11362 1/20 0.51
FLT1 P17948 1/20 0.51
TSHR P16473 2/20 0.47
CYP1A2 P05177 1/20 0.47
IDH1 O75874 1/20 0.46
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
CYP19A1 P11511 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.44
KLK1 P06870 3/20 0.44
KLK5 Q9Y337 3/20 0.44
HSD17B10 Q99714 1/20 0.44
F9 P00740 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
PORCN Q9H237 1/20 0.42

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
SCHEMBL7822768 0.91 IDH1 (0.48) CBFBHDAC1HDAC6FGFR1FLT1
SCHEMBL7832665 0.84 CBFB (0.49) CBFBHDAC1HDAC6FGFR1FLT1
SCHEMBL7836360 0.82 SMN1; SMN2 (0.62) CBFBHDAC1HDAC6FGFR1FLT1
SCHEMBL7835280 0.82 CBFB (0.50) CBFBFGFR1FLT1TSHRCYP1A2
SCHEMBL7822350 0.82 ALDH1A1 (0.50) CBFBFGFR1FLT1MAOAMAOB
SCHEMBL7834266 0.82 SMN1; SMN2 (0.50) CBFBFGFR1FLT1MAOAMAOB
SCHEMBL7834220 0.81 MAOA (0.48) CBFBFGFR1FLT1TSHRMAOA
Hydrochloric Acid SCHEMBL7837257 0.81 SMN1; SMN2 (0.49) CBFBFGFR1FLT1MAOAMAOB
Hydrochloric Acid SCHEMBL8148424 0.81 SMN1; SMN2 (0.61) CBFBHDAC1HDAC6FGFR1FLT1
SCHEMBL7821991 0.80 NPC1 (0.55) CBFBFGFR1FLT1TSHRCYP1A2

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