SCHEMBL27316791

SCHEMBL27316791

COc1cc(C)cc(-c2cc(C(=O)N3CCOCC3)n(C)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ RAB9A P51151 4/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ KDM4E B2RXH2 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ AR P10275 2/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ TP53 P04637 1/20 0.40

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
SCHEMBL27316797 0.81 GRM3 (0.38) RAB9AALDH1A1NPC1ARHRH3
SCHEMBL27316798 0.80 PIK3CA (0.38) ALDH1A1ARTP53
SCHEMBL26831785 0.77 HRH3 (0.51) RAB9AALDH1A1NPC1KDM4EHPGD
SCHEMBL27316789 0.76 BRD4 (0.35) L3MBTL1ARTP53
SCHEMBL27316787 0.75 HSD17B1 (0.41) RAB9AALDH1A1NPC1KDM4EHPGD
SCHEMBL1663195 0.70 HRH3 (0.50) HPGDARHRH3
SCHEMBL6456595 0.70 L3MBTL1 (0.73) L3MBTL1RAB9AMEN1KMT2AALDH1A1
SCHEMBL20581386 0.68 TP53 (0.43) KMT2AARHRH3TP53
SCHEMBL27316874 0.66 ALDH1A1 (0.39) ALDH1A1
SCHEMBL20581159 0.65 TP53 (0.50) RAB9AKMT2AARHRH3TP53

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-2024057020-A1 ANTI-VIRAL COMPOUNDS Infex Therapeutics Limited (GB) 2024-03-21 — — WO disclosed
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