SCHEMBL9670339

SCHEMBL9670339

O=C(Nc1cccnc1)c1nc2ccccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.61
RAB9A P51151 4/20 0.60
ADRB2 P07550 1/20 0.58
ADRB1 P08588 1/20 0.58
ADRB3 P13945 1/20 0.58
ROCK2 O75116 1/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
NPC1 O15118 3/20 0.55
NAMPT P43490 4/20 0.55
LMNA P02545 2/20 0.52
HIF1A Q16665 1/20 0.52
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
HTT P42858 1/20 0.51
PKM P14618 1/20 0.50
CYP11B2 P19099 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL4437426 0.86 MMP2 (0.58) RAB9AMEN1KMT2ANPC1LMNA
SCHEMBL9670630 0.85 ROCK2 (0.55) RAB9AADRB2ADRB1ADRB3ROCK2
SCHEMBL2181161 0.84 GRM5 (0.52) IDO1ADRB2ADRB1ADRB3ROCK2
SCHEMBL29815107 0.84 ROCK2 (0.50) RAB9AADRB2ADRB1ADRB3ROCK2
SCHEMBL6016970 0.83 ALDH1A1 (0.57) RAB9AADRB2ADRB1ADRB3ROCK2
SCHEMBL9670317 0.80 ROCK2 (0.49) RAB9AADRB2ADRB1ADRB3ROCK2
SCHEMBL14340101 0.79 KCNQ3 (0.57) RAB9AADRB2ADRB1ADRB3ROCK2
SCHEMBL9816236 0.79 FAAH (0.61) RAB9AADRB2ADRB1ADRB3ROCK2
SCHEMBL14516675 0.78 FAAH (0.50) RAB9AADRB2ADRB1ADRB3ROCK2
SCHEMBL28372986 0.78 RAB9A (0.71) RAB9AMEN1KMT2ANPC1LMNA

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-0254322-B1 BENZIMIDAZOLE DERIVATIVES NISSHIN FLOUR MILLING CO., LTD. (JP) 1992-09-23 EP disclosed
US-4886803-A CARDIOTONIC AGENTS NISSHIN FLOUR MILLING CO., LTD. (JP) 1989-12-12 US disclosed
EP-0254322-A1 Benzimidazole derivatives NISSHIN FLOUR MILLING CO., LTD. (JP) 1988-01-27 EP disclosed