SCHEMBL7812504

SCHEMBL7812504

Cn1[c]nc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP3A4 P08684 2/20 0.49
SRD5A2 P31213 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
ALOX5 P09917 1/20 0.46
MAOB P27338 4/20 0.45
AS3MT Q9HBK9 1/20 0.45
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAOA P21397 1/20 0.43
ACSS2 Q9NR19 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
SCHEMBL7805459 0.89 NPC1 (0.49) NPC1RAB9AMEN1KMT2ACYP3A4
SCHEMBL7805200 0.77 RHEB (0.45) NPC1RAB9ASRD5A2PKMSMN1; SMN2
SCHEMBL5448369 0.70 MEN1 (0.53) NPC1RAB9AMEN1KMT2ASRD5A2
SCHEMBL1400791 0.70 NPC1 (0.63) NPC1RAB9AMEN1KMT2ASRD5A2
SCHEMBL11227007 0.69 ALDH1A1 (0.55) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL28021758 0.69 HDAC6 (0.58) NPC1RAB9AMEN1KMT2ACYP3A4
SCHEMBL7814303 0.69 MAPT (0.48) NPC1RAB9AMEN1KMT2ACYP3A4
SCHEMBL7818433 0.69 FGFR1 (0.38) MEN1KMT2AALOX5SMN1; SMN2
SCHEMBL27707473 0.69 CYP3A4 (0.51) NPC1RAB9ACYP3A4SRD5A2ALOX5
SCHEMBL11337508 0.69 MAOB (0.50) NPC1RAB9AMEN1KMT2ACYP3A4

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-0745600-B1 Benzimidazole derivatives, their preparation and their therapeutic use SANKYO CO (JP) 2001-10-24 EP disclosed
US-5886014-A TREATMENT AND/OR PROPHYLAXIS OF A VARIETY OF DISORDERS, INCLUDING HYPERLIPEMIA, HYPERGLYCEMIA, OBESITY, IMPAIRED GLUCOSE TOLERANCE (IGT), INSULIN RESISTANCE AND DIABETIC COMPLICATIONS SANKYO COMPANY, LIMITED (JP) 1999-03-23 US disclosed
EP-0745600-A1 Benzimidazole derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1996-12-04 EP disclosed