SCHEMBL9669129

SCHEMBL9669129

O=C(Nc1ccccn1)c1nc2ccccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.55
RAB9A P51151 7/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ALOX15 P16050 2/20 0.55
HPGD P15428 1/20 0.55
KDM4E B2RXH2 2/20 0.55
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
FAAH O00519 4/20 0.50
PKM P14618 1/20 0.50
CNR2 P34972 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 1/20 0.47
STK33 Q9BYT3 1/20 0.47

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
SCHEMBL10560426 0.85 FAAH (0.52) NPC1RAB9ASMN1; SMN2FAAHPKM
SCHEMBL9670317 0.85 ROCK2 (0.49) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL9669179 0.84 NPC1 (0.47) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9669188 0.84 PIN1 (0.56) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9669468 0.83 NPC1 (0.54) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL10561560 0.82 FAAH (0.52) NPC1RAB9ASMN1; SMN2FAAHPKM
SCHEMBL9669437 0.81 RAB9A (0.59) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9669651 0.81 RAB9A (0.58) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL28357603 0.81 SMN1; SMN2 (0.60) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9671465 0.80 NPC1 (0.60) NPC1RAB9AKMT2ASMN1; SMN2NFKB1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63146871-A None JP disclosed
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
JP-S63146871-A BENZIMIDAZOLE DERIVATIVE NISSHIN FLOUR MILLING CO LTD 1988-06-18 JP disclosed
EP-0254322-A1 Benzimidazole derivatives NISSHIN FLOUR MILLING CO., LTD. (JP) 1988-01-27 EP disclosed