SCHEMBL31491287

SCHEMBL31491287

[O-][S@+]1CCc2nc(-c3ccc(-c4ncco4)cc3)nc(NC3CC(CO)C3)c21

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 4/20 0.33
▸ CCNT1 O60563 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ HDAC4 P56524 1/20 0.31

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
SCHEMBL31491311 0.90 LTA4H (0.33) LTA4HHDAC4
SCHEMBL31491291 0.85 ADORA2A (0.37) LTA4HHDAC4
SCHEMBL31491337 0.84 PRKCI (0.34) LTA4HHDAC4
SCHEMBL31491290 0.80 LATS1 (0.36) —
SCHEMBL31491300 0.78 LTA4H (0.33) LTA4H
SCHEMBL31491335 0.78 — —
SCHEMBL31491319 0.78 LATS1 (0.41) —
SCHEMBL31491285 0.77 LATS1 (0.30) —
SCHEMBL31491284 0.74 TNF (0.33) —
SCHEMBL31491334 0.72 — —

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-2025067168-A1 AZA FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 苏州爱科百发生物医药技术有限公司 2025-04-03 — — WO disclosed
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