SCHEMBL30702064

SCHEMBL30702064

C=C(C)c1cncc([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ HPGD P15428 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CACNA1B Q00975 1/20 0.38
▸ APBA1 Q02410 1/20 0.38
▸ CES2 O00748 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ TSHR P16473 3/20 0.35

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
SCHEMBL27191977 1.00 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL287220 0.84 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL2888545 0.82 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL23113725 0.79 MEN1 (0.52) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL1607866 0.78 TP53 (0.55) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL940807 0.78 TP53 (0.55) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL29999860 0.78 NPC1 (0.46) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL27089356 0.78 NPC1 (0.46) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL11718597 0.77 GAA (0.48) ALDH1A1MEN1KMT2AGAAHTT
SCHEMBL11722198 0.76 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AGAASMN1; SMN2

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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