SCHEMBL13460409

SCHEMBL13460409

[N-]=[N+]=NCC(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
HTR2A P28223 5/20 0.41
TAAR1 Q96RJ0 1/20 0.41
GAA P10253 1/20 0.40
HRH1 P35367 5/20 0.38
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
GPR88 Q9GZN0 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
ACP3 P15309 1/20 0.34

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
Phosphoric Acid SCHEMBL29027087 0.90 ACP3 (0.44) L3MBTL1GAAAURKARPS6KB1GPR88
SCHEMBL18321195 0.81 GAA (0.41) L3MBTL1HTR2ATAAR1GAAHRH1
SCHEMBL15382014 0.81 LMNA (0.47) L3MBTL1TAAR1GAA
SCHEMBL27702036 0.81 SCN4A (0.41) L3MBTL1HTR2ATAAR1GAAAURKA
SCHEMBL13516801 0.81 SCN4A (0.41) L3MBTL1HTR2ATAAR1GAAAURKA
SCHEMBL15382015 0.81 LMNA (0.47) L3MBTL1TAAR1GAA
SCHEMBL16377367 0.81 L3MBTL1 (0.40) L3MBTL1HTR2ATAAR1GAAHRH1
SCHEMBL13438025 0.81 TAAR1 (0.47) L3MBTL1HTR2ATAAR1GAAHRH1
SCHEMBL18434877 0.81 TAAR1 (0.47) L3MBTL1HTR2ATAAR1GAAHRH1
SCHEMBL16746745 0.81 LMNA (0.47) L3MBTL1TAAR1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025003984-A1 INHIBITORS OF HEME OXYGENASE, COMPOSITIONS AND USES THEREOF Università Degli Studi del Piemonte Orientale “Amedeo Avogadro” (IT) 2025-01-02 WO disclosed
WO-2010023946-A1 NOVEL URACIL COMPOUND HAVING NITROGENATED HETEROCYCLIC RING OR SALT THEREOF 大鵬薬品工業株式会社 (JP) 2010-03-04 WO disclosed