SCHEMBL22453789

SCHEMBL22453789

COC(=O)c1ccccc1N(C)c1ccc(Oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41
▸ HIF1A Q16665 10/20 0.38
▸ EPAS1 Q99814 3/20 0.38
▸ MDH1 P40925 2/20 0.38
▸ MDH2 P40926 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ PNLIP P16233 3/20 0.38
▸ LMNA P02545 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ RCE1 Q9Y256 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ EP300 Q09472 1/20 0.36
▸ CASP2 P42575 1/20 0.36

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
SCHEMBL22452819 0.91 HIF1A (0.41) KMT2AGPR55HIF1AEPAS1PNLIP
SCHEMBL22452667 0.88 HIF1A (0.44) KMT2AHIF1AEPAS1MDH1MDH2
SCHEMBL22453205 0.83 MAPT (0.46) HIF1AEPAS1MDH1MDH2CYP3A4
SCHEMBL22453481 0.79 PGR (0.46) KMT2AHIF1AEPAS1MDH1MDH2
SCHEMBL22453037 0.78 HIF1A (0.50) KMT2AGPR55HIF1AEPAS1LMNA
SCHEMBL22452673 0.78 PGR (0.50) KMT2AHIF1AEPAS1MDH1MDH2
SCHEMBL22453756 0.77 CNR2 (0.49) KMT2AHIF1AEPAS1MDH1MDH2
SCHEMBL22452675 0.76 MDH1 (0.39) KMT2AGPR55HIF1AEPAS1MDH1
SCHEMBL22453367 0.76 ACACB (0.38) HIF1AEPAS1MDH1MDH2CYP3A4
SCHEMBL22452670 0.76 LMNA (0.41) KMT2AHIF1AEPAS1MDH1MDH2

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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