SCHEMBL17242564

SCHEMBL17242564

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

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 14/20 0.87
TLR1 Q15399 14/20 0.87
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39

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 0.93 TLR2 (1.00) TLR2TLR1MAPTRAB9ASMN1; SMN2
SCHEMBL17243259 0.90 TLR2 (0.89) TLR2TLR1MAPTRAB9ASMN1; SMN2
SCHEMBL17242583 0.89 TLR2 (0.87) TLR2TLR1MAPTRAB9ASMN1; SMN2
SCHEMBL17242638 0.88 TLR2 (0.86) TLR2TLR1MAPT
SCHEMBL17242578 0.88 TLR2 (1.00) TLR2TLR1MAPTRAB9ASMN1; SMN2
SCHEMBL17243299 0.87 TLR2 (0.83) TLR2TLR1MAPTRAB9ASMN1; SMN2
SCHEMBL17242494 0.87 TLR2 (0.83) TLR2TLR1MAPTRAB9ASMN1; SMN2
SCHEMBL17242635 0.86 TLR2 (0.81) TLR2TLR1MAPTRAB9ASMN1; SMN2
SCHEMBL17242722 0.86 TLR2 (0.81) TLR2TLR1MAPTRAB9ASMN1; SMN2
SCHEMBL17242762 0.86 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