SCHEMBL31491339

SCHEMBL31491339

O=C(O)C12CC(Nc3nc(-c4ccc(-c5ncco5)cc4)nc4c3[S@+]([O-])CC4)(C1)C2

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.34
▸ LTA4H P09960 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
SCHEMBL31491400 0.91 CFTR (0.32) HDAC4LTA4H
SCHEMBL31491335 0.86 — —
SCHEMBL31491290 0.81 LATS1 (0.36) —
SCHEMBL31491285 0.80 LATS1 (0.30) —
SCHEMBL31491319 0.79 LATS1 (0.41) —
SCHEMBL31491311 0.76 LTA4H (0.33) HDAC4LTA4H
SCHEMBL31491386 0.76 — —
SCHEMBL31491291 0.75 ADORA2A (0.37) HDAC4LTA4H
SCHEMBL31491337 0.74 PRKCI (0.34) HDAC4LTA4H
SCHEMBL31491287 0.74 LTA4H (0.33) HDAC4LTA4H

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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