SCHEMBL38657449

SCHEMBL38657449

O=c1nc2c(-c3ccccc3)c(-c3cccc(Cl)c3Cl)nc-2c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
CYP2D6 P10635 2/20 0.39
MAPK1 P28482 2/20 0.39
MAOA P21397 1/20 0.39
ADRA1A P35348 1/20 0.39
SCN4A P35499 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
PDE3A Q14432 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
CYP2A6 P11509 1/20 0.37
ADORA2A P29274 2/20 0.36

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
SCHEMBL1728362 0.80 KDM4E (0.37) PTGS1PTGS2CYP2A6NOTUMALDH1A1
SCHEMBL4607199 0.80 LMNA (0.46) PTGS1PTGS2ADORA2AADORA1LMNA
SCHEMBL8119337 0.74 SCN9A (0.50) CYP2D6MAPK1MAOAADRA1ASCN4A
SCHEMBL643990 0.70 ADORA2A (0.42) MAPK1PDE3AADORA2AADORA1LMNA
SCHEMBL1250242 0.68 CYP2A6 (0.68) MAPK1CYP2A6NOTUMLMNAALDH1A1
SCHEMBL29489437 0.68 CYP2A6 (0.68) MAPK1CYP2A6NOTUMLMNAALDH1A1
SCHEMBL27448380 0.66 CYP2A6 (0.65) CYP2A6NOTUMLMNAALDH1A1P2RX7
Ammonia Solution, Strong SCHEMBL28700448 0.66 CYP2A6 (0.65) CYP2A6NOTUMLMNAALDH1A1P2RX7
Iodide SCHEMBL29162135 0.66 CYP2A6 (0.65) CYP2A6NOTUMLMNAALDH1A1P2RX7
Biphenyl SCHEMBL27846302 0.66 CYP2A6 (0.65) CYP2A6NOTUMLMNAMAPTALDH1A1

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
CN-122037616-A Pigment red 254 kneading inducer and application thereof 重庆安尚科技有限公司 2026-05-15 CN disclosed