SCHEMBL17242583

SCHEMBL17242583

CNc1ccc([N+](=O)[O-])cc1-n1cnc(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.87

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 12/20 0.87
TLR1 Q15399 12/20 0.87
MAPT P10636 3/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALKBH5 Q6P6C2 1/20 0.41
FTO Q9C0B1 1/20 0.41
CYP19A1 P11511 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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 0.98 TLR2 (0.86) TLR2TLR1MAPTMEN1KMT2A
SCHEMBL16692239 0.93 TLR2 (1.00) TLR2TLR1MAPTRAB9ASMN1; SMN2
SCHEMBL17242571 0.90 TLR2 (0.80) TLR2TLR1MAPTRAB9ASMN1; SMN2
SCHEMBL17243259 0.90 TLR2 (0.89) TLR2TLR1MAPTRAB9ASMN1; SMN2
SCHEMBL17242564 0.89 TLR2 (0.87) TLR2TLR1MAPTRAB9ASMN1; SMN2
SCHEMBL17242568 0.88 TLR2 (0.78) TLR2TLR1MAPTMEN1KMT2A
SCHEMBL17242722 0.88 TLR2 (0.81) TLR2TLR1MAPTALKBH5FTO
SCHEMBL17242635 0.88 TLR2 (0.81) TLR2TLR1MAPTALKBH5FTO
SCHEMBL17243306 0.87 TLR2 (0.80) TLR2TLR1MAPTRAB9ASMN1; SMN2
SCHEMBL17243299 0.87 TLR2 (0.83) 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