SCHEMBL30701973

SCHEMBL30701973

COc1cc(-c2cc3[nH]c(=O)n(-c4cncc(Cl)c4C)c(=O)c3s2)c(Cl)cc1F

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HAVCR2 Q8TDQ0 1/20 0.34
▸ EGLN3 Q9H6Z9 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ BRD2 P25440 1/20 0.33
▸ BRD3 Q15059 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ HPGD P15428 3/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ IMPDH2 P12268 1/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ BCAT2 O15382 1/20 0.31
▸ BCAT1 P54687 1/20 0.31
▸ PKM P14618 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
SCHEMBL27191903 1.00 HAVCR2 (0.34) HAVCR2EGLN3BRD4BRD2BRD3
SCHEMBL31341472 0.89 HTT (0.34) HAVCR2HTT
SCHEMBL27192065 0.87 EGLN3 (0.33) HAVCR2EGLN3KDM4EALDH1A1HPGD
SCHEMBL27191885 0.87 HAVCR2 (0.31) HAVCR2EGLN3HTT
SCHEMBL27191940 0.87 HAVCR2 (0.34) HAVCR2EGLN3BRD4BRD2BRD3
SCHEMBL27191862 0.86 HAVCR2 (0.35) HAVCR2EGLN3BRD4BRD2BRD3
SCHEMBL27192256 0.86 EGLN3 (0.37) HAVCR2EGLN3BRD4BRD2BRD3
SCHEMBL27192107 0.86 HAVCR2 (0.30) HAVCR2
SCHEMBL27191992 0.86 EGLN3 (0.35) HAVCR2EGLN3BRD4BRD2BRD3
SCHEMBL27191892 0.86 EGLN3 (0.32) HAVCR2EGLN3BRD4BRD2BRD3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4565574-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2025-06-11 — — EP disclosed
CN-119731159-A SARS-CoV2 main proteinase inhibitor 吉利德科学公司 2025-03-28 — — CN disclosed
WO-2024031089-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-08 — — WO disclosed
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