SCHEMBL24901703

SCHEMBL24901703

COc1cc(Br)ccc1OC(F)(F)CO[Si](C(C)C)(C(C)C)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGAM O43451 4/20 0.39
GAA P10253 4/20 0.39
SI P14410 4/20 0.39
MGAM2 Q2M2H8 4/20 0.39
KDM4E B2RXH2 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 3/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AMY1A P0DUB6 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL24901454 0.76 KDM4E (0.40) MGAMGAASIMGAM2KDM4E
SCHEMBL30694806 0.73 KDM4E (0.41) KDM4ETDP1HRH4SMN1; SMN2
SCHEMBL15968924 0.73 KDM4E (0.41) KDM4ETDP1HRH4SMN1; SMN2
SCHEMBL24901457 0.70 HTR2A (0.30)
SCHEMBL24901455 0.69 HAO1 (0.35) LMNAHRH4SMN1; SMN2
SCHEMBL24901535 0.68 MAPT (0.32)
SCHEMBL24901480 0.68 MAPT (0.32)
SCHEMBL29419589 0.67 CA2 (0.56) KDM4ETDP1SMN1; SMN2ALDH1A1
SCHEMBL20509 0.67 CA2 (0.56) KDM4ETDP1SMN1; SMN2ALDH1A1
SCHEMBL4573180 0.67 KDM4E (0.41) KDM4ETDP1HRH4SMN1; SMN2

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
WO-2023286768-A1 HYDROGENATED QUINOXALINES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 WO disclosed