SCHEMBL9670701

SCHEMBL9670701

COc1cc2nc(C(=O)Nc3ccncc3)[nH]c2cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 1/20 0.55
PKM P14618 1/20 0.55
KMT2A Q03164 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.49
KCNMA1 Q12791 1/20 0.49
MAPK1 P28482 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
JAK2 O60674 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
KDR P35968 1/20 0.47
POLB P06746 1/20 0.46
MAPT P10636 2/20 0.45
PDE10A Q9Y233 1/20 0.44
PDE4B Q07343 1/20 0.43
TYK2 P29597 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL9668769 0.80 NPC1 (0.55) ALDH1A1MEN1PKMKMT2AL3MBTL1
SCHEMBL9669375 0.78 EGLN1 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL1590382 0.76 CHEK1 (0.57) ALDH1A1MEN1PKMKMT2AMAPK1
SCHEMBL1589931 0.76 GAA (0.56) ALDH1A1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL9670630 0.76 ROCK2 (0.55) MEN1PKMKMT2AL3MBTL1SMN1; SMN2
SCHEMBL9671325 0.76 LCK (0.46) ALDH1A1MEN1PKMKMT2AL3MBTL1
SCHEMBL13556344 0.75 MAPT (0.43) ALDH1A1MEN1PKMKMT2ASMN1; SMN2
SCHEMBL30912936 0.72 EGLN1 (0.54) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL29086882 0.72 EGLN1 (0.54) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL13210698 0.72 KCNMA1 (0.74) ALDH1A1MEN1PKMKMT2AL3MBTL1

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