SCHEMBL6544355

SCHEMBL6544355

Cc1cc(Oc2ccc([N+](=O)[O-])c(N(C)C(=O)O)c2)cc(C)c1NC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
LMNA P02545 1/20 0.34
LCK P06239 5/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6544361 1.00 ALDH1A1 (0.34) ALDH1A1LMNALCKNPC1RAB9A
SCHEMBL3243692 0.92 ALDH1A1 (0.34) ALDH1A1LMNALCKNPC1RAB9A
SCHEMBL6544083 0.87 MEN1 (0.42) LMNANPC1RAB9AMAPTMEN1
SCHEMBL6544088 0.87 MEN1 (0.42) LMNANPC1RAB9AMAPTMEN1
SCHEMBL487505 0.82 SMN1; SMN2 (0.40) ALDH1A1LMNALCKNPC1RAB9A
SCHEMBL3488698 0.81 ALDH1A1 (0.43) ALDH1A1LMNANPC1RAB9AMAPT
SCHEMBL3244124 0.79 MEN1 (0.42) LMNANPC1RAB9AMAPTMEN1
SCHEMBL27939756 0.78 KMT2A (0.39) ALDH1A1LMNANPC1RAB9AMAPT
SCHEMBL3487276 0.78 TSHR (0.38) ALDH1A1LMNANPC1RAB9AMAPT
SCHEMBL3241737 0.78 MEN1 (0.38) ALDH1A1LMNANPC1RAB9AMAPT

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-1022272-B1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS SANKYO CO (JP) 2004-05-26 EP disclosed
US-6432993-B1 BENZIMIDAZOLE OR IMIDAZO(4,5-B)PYRIDINE DERIVATES; IMMUNOMODULATORS; ALDOSE REDUCTASE AND LIPOXYGENASE INHIBITORS; DIABETES; PREVENTS LIPID PEROXIDATION; ANTILIPEMIC, HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 2002-08-13 US disclosed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 EP disclosed