SCHEMBL31435263

SCHEMBL31435263

CC1CC(C(=O)O)CCN1Cc1noc(-c2ccc(F)c(C(F)(F)F)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 13/20 0.46
NOTUM Q6P988 1/20 0.42
DYRK3 O43781 1/20 0.41
MAP4K4 O95819 1/20 0.41
ERBB2 P04626 1/20 0.41
PIM1 P11309 1/20 0.41
MARK3 P27448 1/20 0.41
PLK1 P53350 1/20 0.41
CAMK2B Q13554 1/20 0.41
CDC42BPA Q5VT25 1/20 0.41
PIM3 Q86V86 1/20 0.41
MINK1 Q8N4C8 1/20 0.41
SRPK1 Q96SB4 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
MAP3K20 Q9NYL2 1/20 0.41
MAP4K5 Q9Y4K4 1/20 0.41
MPL P40238 5/20 0.41
S1PR3 Q99500 2/20 0.39
S1PR5 Q9H228 1/20 0.39

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
SCHEMBL31435253 1.00 S1PR1 (0.46) S1PR1NOTUMDYRK3MAP4K4ERBB2
SCHEMBL31435243 0.91 S1PR1 (0.41) S1PR1DYRK3MAP4K4ERBB2PIM1
SCHEMBL34469816 0.86 S1PR1 (0.43) S1PR1DYRK3MAP4K4ERBB2PIM1
SCHEMBL31435230 0.84 ACKR3 (0.46) S1PR1
SCHEMBL31435231 0.84 UBE2M (0.46)
SCHEMBL31435258 0.84 ACKR3 (0.46) S1PR1
SCHEMBL31435222 0.84 UBE2M (0.46)
SCHEMBL31435225 0.84 UBE2M (0.46)
SCHEMBL31435252 0.84 ACKR3 (0.38) S1PR1MPL
SCHEMBL31435233 0.84 ACKR3 (0.38) S1PR1MPL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025090928-A9 COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISEASES AQUINNAH PHARMACEUTICALS, INC. (US) 2026-04-30 WO disclosed
WO-2025090928-A1 COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISEASES AQUINNAH PHARMACEUTICALS, INC. (US) 2025-05-01 WO disclosed