SCHEMBL31694068

SCHEMBL31694068

CC1(C)CNc2cc(F)c(Br)cc2O1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.36
▸ HDAC4 P56524 2/20 0.36
▸ AKR1B1 P15121 1/20 0.32

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
SCHEMBL16893987 0.94 KDM4E (0.36) KDM4EHDAC4
SCHEMBL16896779 0.78 KDM4E (0.54) KDM4E
SCHEMBL6123996 0.73 KDM4E (0.38) KDM4E
SCHEMBL3792647 0.73 KDM4E (0.38) KDM4EHDAC4
SCHEMBL16893991 0.72 KDM4E (0.33) KDM4EHDAC4
SCHEMBL15677034 0.71 AR (0.40) —
SCHEMBL16866861 0.71 BRD4 (0.46) KDM4E
SCHEMBL31694125 0.71 BRD4 (0.46) KDM4E
SCHEMBL9343747 0.69 KDM4E (0.37) KDM4E
SCHEMBL13543883 0.68 KDM4E (0.39) KDM4EHDAC4

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-2025201477-A1 SPIROCYCLIC GSDME INHIBITORS PYROTECH (BEIJING) BIOTECHNOLOGY CO.,LTD. (CN) 2025-10-02 — — WO disclosed
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