SCHEMBL30547488

SCHEMBL30547488

COc1nc(N2CCC(C(=O)O)CC2)ncc1F

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
HSD17B10 Q99714 2/20 0.50
USP2 O75604 1/20 0.50
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP2C19 P33261 1/20 0.50
NEK2 P51955 7/20 0.44
CHRM4 P08173 1/20 0.44
PLK1 P53350 1/20 0.43
NEK1 Q96PY6 1/20 0.43
NOTUM Q6P988 1/20 0.39
GAA P10253 2/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HCRTR2 O43614 2/20 0.39
TMPRSS15 P98073 1/20 0.38
ACACB O00763 1/20 0.38

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
SCHEMBL25302383 1.00 KDM4E (0.50) KDM4EHSD17B10USP2HPGDNPSR1
SCHEMBL25254404 0.89 KDM4E (0.50) KDM4ENEK2CHRM4HCRTR2TMPRSS15
SCHEMBL30547539 0.89 KDM4E (0.50) KDM4ENEK2CHRM4HCRTR2TMPRSS15
SCHEMBL20565681 0.82 KDM4E (0.56) KDM4EHSD17B10USP2HPGDNPSR1
Hydrochloric Acid SCHEMBL20565233 0.81 KDM4E (0.55) KDM4EHSD17B10USP2HPGDNPSR1
SCHEMBL20565611 0.80 KDM4E (0.54) KDM4EHSD17B10USP2HPGDNPSR1
SCHEMBL20564608 0.78 KDM4E (0.51) KDM4EHSD17B10USP2HPGDNPSR1
SCHEMBL25294566 0.78 KDM4E (0.51) KDM4EHSD17B10USP2HPGDNPSR1
SCHEMBL30338757 0.78 KDM4E (0.51) KDM4EHSD17B10USP2HPGDNPSR1
SCHEMBL31111338 0.78 KDM4E (0.48) KDM4EHSD17B10USP2HPGDNPSR1

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-116547281-A Isoxazolidines as RIPK1 inhibitors and uses thereof 赛诺菲 2023-08-04 CN disclosed