SCHEMBL22453693

SCHEMBL22453693

COC(=O)c1ccccc1Oc1ccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 8/20 0.54
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ NPC1 O15118 1/20 0.48
▸ EPAS1 Q99814 3/20 0.48
▸ MDH1 P40925 2/20 0.47
▸ MDH2 P40926 2/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ PGR P06401 1/20 0.47
▸ GAA P10253 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ EP300 Q09472 1/20 0.45
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ EPHX2 P34913 2/20 0.43

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
SCHEMBL22452696 0.90 HIF1A (0.53) HIF1AMEN1KMT2ARAB9ANPC1
SCHEMBL22453766 0.85 HPGD (0.56) HIF1AMEN1KMT2ARAB9ANPC1
SCHEMBL22453681 0.85 ELANE (0.56) HIF1AMEN1KMT2ARAB9ANPC1
SCHEMBL22452577 0.84 HIF1A (0.51) HIF1ANPC1EPAS1MDH1MDH2
SCHEMBL22453221 0.84 HIF1A (0.51) HIF1ANPC1EPAS1MDH1MDH2
SCHEMBL22453751 0.81 HPGD (0.55) HIF1AMEN1KMT2ARAB9ANPC1
SCHEMBL22453694 0.80 HIF1A (0.52) HIF1ARAB9ANPC1EPAS1MDH1
SCHEMBL22452654 0.78 CNR2 (0.57) HIF1AMEN1KMT2ARAB9ANPC1
SCHEMBL22452507 0.78 MAPT (0.53) HIF1AMEN1KMT2ARAB9ANPC1
SCHEMBL23210638 0.77 HIF1A (0.64) HIF1AMEN1KMT2ARAB9ANPC1

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-2020190774-A1 NOVEL SMALL MOLECULE INHIBITORS OF TEAD TRANSCRIPTION FACTORS THE GENERAL HOSPITAL CORPORATION (US) 2020-09-24 — — WO disclosed
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