SCHEMBL31463178

SCHEMBL31463178

Nc1nnc(-c2ccc(Cl)cc2Cl)c(N)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.57
MAOA P21397 1/20 0.57
MAPK1 P28482 1/20 0.57
ADRA1A P35348 1/20 0.57
SCN4A P35499 1/20 0.57
BLM P54132 1/20 0.57
PMP22 Q01453 1/20 0.57
PDE3A Q14432 1/20 0.57
SCN5A Q14524 1/20 0.57
SCN9A Q15858 1/20 0.57
SCN2A Q99250 1/20 0.57
SCN3A Q9NY46 1/20 0.57
SCN10A Q9Y5Y9 1/20 0.57
HSP90AB1 P08238 3/20 0.50
HSP90AA1 P07900 2/20 0.50
PIK3CG P48736 1/20 0.47
DPP4 P27487 6/20 0.47
KDM4E B2RXH2 1/20 0.46
MGAM O43451 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL3938440 1.00 CYP2D6 (0.57) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL31544625 1.00 CYP2D6 (0.57) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL3701926 0.86 SCN10A (0.57) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL10987104 0.83 CYP2D6 (0.50) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL3708084 0.83 CYP2D6 (0.54) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL6373751 0.83 MAPK1 (0.54) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL11067545 0.80 CYP2D6 (0.50) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL30413401 0.79 SCN9A (0.61) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL978226 0.79 SCN9A (0.61) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL10811842 0.79 SCN9A (0.75) CYP2D6MAOAMAPK1ADRA1ASCN4A

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-119695101-A Silicon-carbon composite material containing covalent organic framework material coating layer and preparation method thereof 博赛利斯(南京)有限公司 2025-03-25 CN disclosed