SCHEMBL30463578

SCHEMBL30463578

Brc1cnc(C2CCC3(CC2)OCCO3)s1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE10A Q9Y233 3/20 0.31
FPR3 P25089 5/20 0.31
FPR2 P25090 5/20 0.31
TRPV3 Q8NET8 1/20 0.31
MAPK1 P28482 2/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 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
SCHEMBL12342269 0.81 PDE10A (0.35) SMN1; SMN2PDE10ATRPV3MAPK1ALDH1A1
SCHEMBL17203791 0.79
SCHEMBL19984742 0.79 PDE10A (0.32) PDE10A
SCHEMBL21273281 0.79 PDE10A (0.32) PDE10A
SCHEMBL19984737 0.79 TRPV3 (0.34) PDE10ATRPV3
SCHEMBL16426790 0.78 CHRM4 (0.35) MAPK1
SCHEMBL628736 0.78 HCAR2 (0.39) STAT3HTTSMN1; SMN2MAPK1ALDH1A1
SCHEMBL628266 0.77 GSK3B (0.34) STAT3HTTSMN1; SMN2MAPK1ALDH1A1
SCHEMBL20298764 0.76 WDR5 (0.36) SMN1; SMN2ALDH1A1
SCHEMBL20298979 0.76 WDR5 (0.39) HTTSMN1; SMN2ALDH1A1POLB

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-116514799-A Wee1 inhibitor, composition and application thereof 星希尔生物科技(上海)有限公司 2023-08-01 CN disclosed