SCHEMBL7448580

SCHEMBL7448580

CCOC(=O)CNC(C)(C(=O)N1CCCC1)c1ccc2[nH]c(CNc3ccc(C(=N)NC(=O)OCOC(C)=O)cc3)nc2c1C

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL7449129 0.95 RAB9A (0.40) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL7446181 0.91 RAB9A (0.37) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL7449468 0.91 NPC1 (0.37) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL7450337 0.90 NPC1 (0.36) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL7448183 0.90 NPC1 (0.36) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL7447557 0.90 ALDH1A1 (0.39) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL7453448 0.89 RAB9A (0.41) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL7415098 0.88 RAB9A (0.41) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL7416279 0.87 F2 (0.38) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL7420823 0.87 F2 (0.36) NPC1RAB9AALDH1A1LMNAMAPT

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-1095025-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2001-05-02 EP disclosed
WO-2000001704-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-01-13 WO disclosed