SCHEMBL3143591

SCHEMBL3143591

CN(C)c1cccc(-c2cc([N+](=O)[O-])ccn2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.57
NFE2L2 Q16236 3/20 0.57
PLK1 P53350 1/20 0.43
ABCG2 Q9UNQ0 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PLG P00747 1/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
MAPT P10636 3/20 0.42
IDO1 P14902 1/20 0.42
ADK P55263 1/20 0.42
PDE4D Q08499 1/20 0.41
GRM5 P41594 1/20 0.41
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
BAZ1A Q9NRL2 1/20 0.40
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40

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
SCHEMBL28419565 0.89 KEAP1 (0.57) KEAP1NFE2L2PLK1ABCG2NPC1
SCHEMBL3133571 0.84 APP (0.51) KEAP1NFE2L2NPC1RAB9AMAPT
SCHEMBL3135082 0.81 KEAP1 (0.51) KEAP1NFE2L2ABCG2NPC1RAB9A
SCHEMBL7232176 0.78 ALDH1A1 (0.57) KEAP1NFE2L2PLK1NPC1RAB9A
SCHEMBL30780918 0.77 TSHR (0.61) KEAP1NFE2L2ABCG2NPC1RAB9A
SCHEMBL1413129 0.77 TSHR (0.61) KEAP1NFE2L2ABCG2NPC1RAB9A
SCHEMBL7237866 0.75 MAPT (0.59) KEAP1NFE2L2PLK1NPC1RAB9A
SCHEMBL30469276 0.75 MAPT (0.59) KEAP1NFE2L2PLK1NPC1RAB9A
SCHEMBL19134427 0.75 ASIC3 (0.59) ABL1BCR
SCHEMBL546381 0.75 ABL1 (0.59) RAB9ABCHEACHEMAPTPDE4D

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100000606-A1 ORGANIC PHOTOSENSITIVE DEVICES THOMPSON MARK E 2010-01-07 US disclosed
US-20100000606-A1 ORGANIC PHOTOSENSITIVE DEVICES THOMPSON MARK E 2010-01-07 US disclosed
EP-1728285-A1 HEAVY METAL COMPLEXES FOR ORGANIC PHOTOSENSITIVE DEVICES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2006-12-06 EP disclosed
WO-2005098990-A1 HEAVY METAL COMPLEXES FOR ORGANIC PHOTOSENSITIVE DEVICES THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2005-10-20 WO disclosed
US-20050211974-A1 Organic photosensitive devices UNIVERSITY OF SOUTHERN CALIFORNIA, THE 2005-09-29 US disclosed