SCHEMBL31498482

SCHEMBL31498482

Brc1c2ccsc2cc2ccsc12

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.36
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
DYRK1A Q13627 1/20 0.30

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
SCHEMBL19624614 0.76 MAPT (0.37) CYP2A6MAPTTSHRDYRK1A
SCHEMBL4421176 0.76 DYRK1A (0.37) CYP2A6MAPTTSHRDYRK1A
SCHEMBL4419435 0.76 CYP2A6 (0.36) CYP2A6MAPTTSHRDYRK1A
SCHEMBL2236457 0.73 DYRK1A (0.34) DYRK1A
SCHEMBL17934725 0.72 CYP2A6 (0.33) CYP2A6
SCHEMBL29681675 0.71 KDM4E (0.33) CYP2A6MAPT
SCHEMBL19426767 0.68 TUBB4A (0.38) CYP2A6
SCHEMBL29542206 0.68 CSNK2A2 (0.31)
SCHEMBL13046521 0.68 CA1 (0.37) MAPTTSHR
SCHEMBL28795987 0.68 CSNK2A2 (0.31)

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-119842071-A Conductive polymer material, preparation method and application 北京大学深圳研究生院 2025-04-18 CN disclosed