Sugi Predict

Sugi Predict / Compounds / SCHEMBL30792249

SCHEMBL30792249

SCHEMBL30792249

Nc1cc(Cl)c(OCc2cccc(F)c2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 8/20 0.52
▸ IDO1 P14902 2/20 0.49
▸ AGXT P21549 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ EGFR P00533 5/20 0.47
▸ ERBB2 P04626 5/20 0.47
▸ MRGPRX4 Q96LA9 2/20 0.47
▸ PPOX P50336 1/20 0.46

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
SCHEMBL21835378 1.00 MAOB (0.52) MAOBIDO1AGXTKDM4EGAA
SCHEMBL20535609 0.91 MAOB (0.55) MAOBIDO1AGXTKDM4EGAA
SCHEMBL4270131 0.87 MAOB (0.54) MAOBIDO1AGXTKDM4EGAA
SCHEMBL3367483 0.87 MAOB (0.56) MAOBIDO1AGXT
SCHEMBL30296587 0.87 MGAM (0.47) MAOBGAAEGFRERBB2MRGPRX4
SCHEMBL30792224 0.87 MAOB (0.56) MAOBIDO1AGXT
SCHEMBL30792312 0.84 MAOB (0.46) MAOBIDO1AGXTMRGPRX4
SCHEMBL30792402 0.83 MAOB (0.52) MAOBIDO1AGXT
SCHEMBL30792326 0.82 MRGPRX4 (0.46) MAOBMRGPRX4
SCHEMBL156718 0.81 MAOB (0.61) MAOBIDO1AGXTEGFRERBB2

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-117658885-A Benzyloxy aryl compound and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2024-03-08 — — CN disclosed