SCHEMBL17243299

SCHEMBL17243299

CNc1ccc([N+](=O)[O-])cc1-n1cnc(-c2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 15/20 0.83
TLR1 Q15399 15/20 0.83
MAPT P10636 2/20 0.54
HTT P42858 2/20 0.54
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
NPBWR1 P48145 1/20 0.42
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL16692239 0.91 TLR2 (1.00) TLR2TLR1MAPTHTTRAB9A
SCHEMBL17242578 0.90 TLR2 (1.00) TLR2TLR1MAPTHTTRAB9A
SCHEMBL17243259 0.88 TLR2 (0.89) TLR2TLR1MAPTHTTRAB9A
SCHEMBL17242583 0.87 TLR2 (0.87) TLR2TLR1MAPTRAB9ASMN1; SMN2
SCHEMBL17242564 0.87 TLR2 (0.87) TLR2TLR1MAPTHTTRAB9A
SCHEMBL17242638 0.86 TLR2 (0.86) TLR2TLR1MAPT
SCHEMBL17242494 0.85 TLR2 (0.83) TLR2TLR1MAPTRAB9ANPC1
SCHEMBL17242635 0.84 TLR2 (0.81) TLR2TLR1MAPTRAB9ASMN1; SMN2
SCHEMBL17242762 0.84 TLR2 (0.81) TLR2TLR1MAPTHTTRAB9A
SCHEMBL17242722 0.84 TLR2 (0.81) TLR2TLR1MAPTRAB9ASMN1; SMN2

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