SCHEMBL6776338

SCHEMBL6776338

CC(C)[N+]([O-])=Cc1ccc(N)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CYP19A1 P11511 7/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NQO2 P16083 2/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL9891035 0.89 NPC1 (0.41) NPC1RAB9AALDH1A1MAPT
SCHEMBL30128697 0.83 TYR (0.48) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL30128857 0.81 FBP1 (0.44) NPC1RAB9AMAOAMAOBALDH1A1
SCHEMBL14993280 0.79 EGFR (0.42) APPNPC1RAB9AALDH1A1MAPT
SCHEMBL14993281 0.79 EGFR (0.42) APPNPC1RAB9AALDH1A1MAPT
SCHEMBL14993283 0.79 EGFR (0.42) APPNPC1RAB9AALDH1A1MAPT
SCHEMBL6771097 0.79 LOXL2 (0.41) NPC1RAB9AMAPT
SCHEMBL566832 0.78 NPC1 (0.45) NPC1RAB9AALDH1A1MAPT
SCHEMBL5267615 0.76 ALDH1A1 (0.49) APPNPC1RAB9AALDH1A1MAPT
SCHEMBL30128650 0.76 FBP1 (0.49) NPC1RAB9ACYP19A1ALDH1A1MAPT

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
US-6815459-B2 USE IN PREVENTING VARIOUS MEDICAL DYSFUNCTIONS AND DISEASES ARISING FROM REACTIVE OXYGEN SPECIES, IN PARTICULAR STROKE, PARKINSON'S DISEASE, ALZHEIMER'S DISEASE; LIPID PEROXIDATION INHIBITION ACTIVITY SAM-SUNG ELECTRONICS CO., LTD. (KR) 2004-11-09 US disclosed
WO-2003010154-A1 SELENO COMPOUNDS CONTAINING NITRONE MOIETY, THEIR PREPARATION AND THEIR THERAPEUTIC USES SAMSUNG ELECTRONICS CO. LTD. (KR) 2003-02-06 WO disclosed