SCHEMBL30701993

SCHEMBL30701993

COc1cc(-c2cc3c(s2)c(=O)n(-c2cncc(F)c2C)c(=O)n3CCC#N)c(Cl)cc1F

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ P2RX3 P56373 1/20 0.30
▸ PIK3CD O00329 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
SCHEMBL27192282 1.00 LMNA (0.33) LMNATHRBALDH1A1CYP1A2CYP3A4
SCHEMBL27192054 0.96 LMNA (0.33) LMNATHRBALDH1A1CYP1A2CYP3A4
SCHEMBL30702000 0.96 LMNA (0.33) LMNATHRBALDH1A1CYP1A2CYP3A4
SCHEMBL30702077 0.89 CYP1A2 (0.32) LMNATHRBALDH1A1CYP1A2CYP3A4
SCHEMBL27191908 0.89 CYP1A2 (0.32) LMNATHRBALDH1A1CYP1A2CYP3A4
SCHEMBL27191786 0.88 LMNA (0.30) LMNATHRB
SCHEMBL30702015 0.88 LMNA (0.30) LMNATHRB
SCHEMBL30702018 0.88 LMNA (0.30) LMNATHRB
SCHEMBL27192032 0.88 ALDH1A1 (0.32) ALDH1A1CYP1A2CYP3A4HPGDHSD17B10
SCHEMBL27192053 0.88 LMNA (0.30) LMNATHRBALDH1A1CYP1A2CYP3A4

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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