SCHEMBL27329423

SCHEMBL27329423

CC(C)c1nn2c(=O)[nH]c(SCC(F)(F)F)nc2c1-c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LIPE Q05469 3/20 0.37
▸ HAVCR2 Q8TDQ0 1/20 0.37
▸ HTT P42858 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ XDH P47989 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TOP2A P11388 1/20 0.34
▸ PSD A5PKW4 1/20 0.34
▸ KCNQ3 O43525 1/20 0.33
▸ KCNQ2 O43526 1/20 0.33

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
SCHEMBL27329309 0.91 GCGR (0.35) XDHKDM4E
SCHEMBL27329419 0.87 HAVCR2 (0.38) HAVCR2XDHKDM4EALDH1A1HPGD
SCHEMBL30992431 0.84 HAVCR2 (0.41) HAVCR2HTTXDHKDM4EALDH1A1
SCHEMBL27329681 0.84 CXCR2 (0.33) HAVCR2
SCHEMBL27329413 0.84 HAVCR2 (0.37) HAVCR2XDHKDM4EALDH1A1HPGD
SCHEMBL27329901 0.79 XDH (0.36) XDH
SCHEMBL27329052 0.78 BCHE (0.40) LIPEHTTBCHEACHEXDH
SCHEMBL27329409 0.78 GCGR (0.35) HTTXDHKDM4E
SCHEMBL30992650 0.77 HAVCR2 (0.43) HAVCR2HTTXDHKDM4EALDH1A1
SCHEMBL27329047 0.77 HPGD (0.40) HTTXDHKDM4EALDH1A1HPGD

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-2024129881-A1 COMPOUNDS, COMPOSITIONS, AND MEZHODS OF TREATING DISORDERS ASSOCIATED WITH PROTEIN MISFOLDING WAVEBREAK THERAPEUTICS LIMITED (US) 2024-06-20 — — WO disclosed
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