SCHEMBL31474627

SCHEMBL31474627

COc1nc(C)cc(C)c1CNc1nc(N2CCc3oc(-c4ccc(F)cc4)nc3C2)nc2c1[S@+]([O-])CC2

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.30
▸ S1PR5 Q9H228 1/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ MAPT P10636 1/20 0.30
▸ MAPK1 P28482 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
SCHEMBL31474609 0.85 EZH2 (0.38) S1PR1S1PR5
SCHEMBL31670523 0.81 S1PR5 (0.31) S1PR1S1PR5
SCHEMBL31474602 0.81 EZH2 (0.31) S1PR1S1PR5
SCHEMBL31474599 0.74 GRM5 (0.32) S1PR5
SCHEMBL31474601 0.74 S1PR5 (0.32) S1PR5
SCHEMBL31474608 0.71 OPRM1 (0.34) —
SCHEMBL31474623 0.67 S1PR5 (0.35) S1PR1S1PR5
SCHEMBL31474603 0.66 S1PR5 (0.42) S1PR1S1PR5
SCHEMBL31670518 0.66 GRM5 (0.37) S1PR5
SCHEMBL31670503 0.63 OPRM1 (0.35) —

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-119698422-A Aza condensed ring compound, preparation method and medical application thereof 苏州爱科百发生物医药技术有限公司 2025-03-25 — — CN disclosed
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