SCHEMBL17242568

SCHEMBL17242568

CNc1ccc([N+](=O)[O-])cc1-n1cnc(-c2ccc3ccccc3c2)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 12/20 0.78
TLR1 Q15399 12/20 0.78
MAPT P10636 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALPG P10696 1/20 0.41
KDR P35968 1/20 0.41
CYP19A1 P11511 1/20 0.39
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL17242583 0.88 TLR2 (0.87) TLR2TLR1MAPTMEN1KMT2A
SCHEMBL17242638 0.88 TLR2 (0.86) TLR2TLR1MAPTMEN1KMT2A
SCHEMBL16692239 0.88 TLR2 (1.00) TLR2TLR1MAPTALDH1A1RAB9A
SCHEMBL17242571 0.87 TLR2 (0.80) TLR2TLR1MAPTALDH1A1RAB9A
SCHEMBL17243259 0.84 TLR2 (0.89) TLR2TLR1MAPTALDH1A1RAB9A
SCHEMBL17242494 0.84 TLR2 (0.83) TLR2TLR1MAPTMEN1KMT2A
SCHEMBL17242564 0.84 TLR2 (0.87) TLR2TLR1MAPTALDH1A1RAB9A
SCHEMBL17243306 0.82 TLR2 (0.80) TLR2TLR1MAPTALDH1A1RAB9A
SCHEMBL17243299 0.82 TLR2 (0.83) TLR2TLR1MAPTALDH1A1RAB9A
SCHEMBL17242722 0.81 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