SCHEMBL17242571

SCHEMBL17242571

CNc1ccc([N+](=O)[O-])cc1-n1cnc(-c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 11/20 0.80
TLR1 Q15399 11/20 0.80
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KEAP1 Q14145 2/20 0.44
NFE2L2 Q16236 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
PLK1 P53350 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43

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
SCHEMBL17242638 0.92 TLR2 (0.86) TLR2TLR1MAPT
SCHEMBL17242583 0.90 TLR2 (0.87) TLR2TLR1MAPTSMN1; SMN2RAB9A
SCHEMBL16692239 0.89 TLR2 (1.00) TLR2TLR1MAPTSMN1; SMN2NPC1
SCHEMBL17242568 0.87 TLR2 (0.78) TLR2TLR1MAPTSMN1; SMN2RAB9A
SCHEMBL17243259 0.86 TLR2 (0.89) TLR2TLR1MAPTSMN1; SMN2L3MBTL1
SCHEMBL17242564 0.85 TLR2 (0.87) TLR2TLR1MAPTSMN1; SMN2NPC1
SCHEMBL17242494 0.83 TLR2 (0.83) TLR2TLR1MAPTSMN1; SMN2MAPK1
SCHEMBL17243299 0.83 TLR2 (0.83) TLR2TLR1MAPTSMN1; SMN2NPC1
SCHEMBL17242762 0.82 TLR2 (0.81) TLR2TLR1MAPTSMN1; SMN2NPC1
SCHEMBL17242635 0.82 TLR2 (0.81) TLR2TLR1MAPTSMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015171951-A1 2-(4-ARYL-1H-IMIDAZOL-1-YL)ANILINE COMPOUNDS THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2015-11-12 WO disclosed