SCHEMBL7449129

SCHEMBL7449129

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.40
NPC1 O15118 3/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
KLK1 P06870 3/20 0.32
KLK5 Q9Y337 3/20 0.32
PIP4K2A P48426 1/20 0.32
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
CHEK1 O14757 1/20 0.30
POLB P06746 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
SCHEMBL7446181 0.95 RAB9A (0.37) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL7449468 0.95 NPC1 (0.37) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL7448580 0.95 NPC1 (0.37) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL7450337 0.94 NPC1 (0.36) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL7448183 0.94 NPC1 (0.36) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL7447557 0.93 ALDH1A1 (0.39) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL7453448 0.93 RAB9A (0.41) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL7415098 0.92 RAB9A (0.41) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL7416279 0.91 F2 (0.38) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL7420823 0.91 F2 (0.36) RAB9ANPC1ALDH1A1LMNAMAPT

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