SCHEMBL27329413

SCHEMBL27329413

C#CCSc1nc2c(-c3ccc(Cl)cc3)c(C(C)C)nn2c(=O)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HAVCR2 Q8TDQ0 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ XDH P47989 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ TOP2A P11388 1/20 0.34
▸ KDM1A O60341 2/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ LDHA P00338 1/20 0.33
▸ LDHB P07195 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
SCHEMBL27329811 0.90 GCGR (0.34) ALDH1A1XDHKDM4EKDM1A
SCHEMBL27329696 0.90 XDH (0.34) MEN1KMT2AALDH1A1HPGDXDH
SCHEMBL27329289 0.88 HPGD (0.37) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL27329419 0.85 HAVCR2 (0.38) HAVCR2ALDH1A1HPGDXDHKDM4E
SCHEMBL27329693 0.85 ALDH1A1 (0.37) MEN1KMT2AALDH1A1HPGDXDH
SCHEMBL30992431 0.84 HAVCR2 (0.41) HAVCR2MEN1KMT2AALDH1A1HPGD
SCHEMBL27329423 0.84 LIPE (0.37) HAVCR2ALDH1A1HPGDXDHKDM4E
SCHEMBL27329679 0.83 KDM1A (0.40) MEN1KMT2AXDHKDM1APTGS2
SCHEMBL27329800 0.81 ARF6 (0.35) MEN1KMT2AALDH1A1XDHKDM1A
SCHEMBL30992367 0.81 XDH (0.35) ALDH1A1XDHKDM4EKDM1A

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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