SCHEMBL17243259

SCHEMBL17243259

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

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 13/20 0.89
TLR1 Q15399 13/20 0.89
ALDH1A1 P00352 3/20 0.46
LMNA P02545 3/20 0.46
GAA P10253 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 2/20 0.45
POLB P06746 1/20 0.45
STAT3 P40763 1/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45

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 0.94 TLR2 (1.00) TLR2TLR1ALDH1A1LMNAGAA
SCHEMBL17242583 0.90 TLR2 (0.87) TLR2TLR1RAB9ASMN1; SMN2MAPT
SCHEMBL17242564 0.90 TLR2 (0.87) TLR2TLR1ALDH1A1LMNAGAA
SCHEMBL17242638 0.89 TLR2 (0.86) TLR2TLR1MAPT
SCHEMBL17243299 0.88 TLR2 (0.83) TLR2TLR1ALDH1A1LMNANPSR1
SCHEMBL17242494 0.88 TLR2 (0.83) TLR2TLR1ALDH1A1GAARAB9A
SCHEMBL17242762 0.87 TLR2 (0.81) TLR2TLR1ALDH1A1LMNAGAA
SCHEMBL17242722 0.87 TLR2 (0.81) TLR2TLR1RAB9ASMN1; SMN2MAPT
SCHEMBL17242578 0.87 TLR2 (1.00) TLR2TLR1ALDH1A1LMNANPSR1
SCHEMBL17242635 0.87 TLR2 (0.81) TLR2TLR1RAB9ASMN1; SMN2MAPT

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