SCHEMBL30752634

SCHEMBL30752634

CN(c1nc(Cl)nc2c(F)c(Br)c(C(F)(F)F)cc12)[C@H]1CCS(=O)(=O)C1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NCOA1 Q15788 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ LMNA P02545 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TP53 P04637 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
SCHEMBL32672703 1.00 HTT (0.37) HTTNPC1MAPTRAB9ANCOA1
SCHEMBL26967428 0.77 FAAH (0.34) —
SCHEMBL26967333 0.77 FAAH (0.34) —
SCHEMBL30752591 0.75 — —
SCHEMBL30752602 0.74 PDE2A (0.34) —
SCHEMBL30752575 0.74 — —
SCHEMBL29141043 0.74 USP30 (0.39) KMT2A
SCHEMBL29141026 0.74 USP30 (0.39) KMT2A
SCHEMBL24918233 0.71 PTGES (0.31) —
SCHEMBL30752563 0.71 — —

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
EP-4565579-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF KRAS Theras, Inc. (US) 2025-06-11 — — EP disclosed
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