SCHEMBL29115176

SCHEMBL29115176

OCC(O)c1ccc(F)cn1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.46
SCN9A Q15858 9/20 0.41
PYGL P06737 1/20 0.38
GRIN2B Q13224 4/20 0.36
GRIN1 Q05586 1/20 0.36
TRPV3 Q8NET8 1/20 0.35
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL31489711 0.84 APLNR (0.50) APLNRGRIN2BGRIN1
SCHEMBL30318694 0.84 APLNR (0.46) APLNRGRIN2BGRIN1KDM4ECYP1A2
SCHEMBL31392878 0.84 APLNR (0.50) APLNRGRIN2BGRIN1
SCHEMBL22585597 0.84 APLNR (0.50) APLNRGRIN2BGRIN1
SCHEMBL30218199 0.84 APLNR (0.50) APLNRGRIN2BGRIN1
SCHEMBL30085317 0.82 APLNR (0.49) APLNRGRIN2BGRIN1KDM4E
SCHEMBL20470389 0.82 APLNR (0.49) APLNRGRIN2BGRIN1KDM4E
SCHEMBL20832717 0.82 APLNR (0.45) APLNRGRIN2BGRIN1KDM4ECYP1A2
SCHEMBL3702647 0.82 APLNR (0.45) APLNRGRIN2BGRIN1KDM4ECYP1A2
SCHEMBL18224526 0.79 APLNR (0.46) APLNRGRIN2BGRIN1KDM4ECYP1A2

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-117120439-A FGFR3 inhibitor compounds 伊莱利利公司 2023-11-24 CN disclosed