SCHEMBL22453367

SCHEMBL22453367

COC(=O)c1ccccc1N(C)c1ccc(N2CC(Oc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 5/20 0.38
▸ HIF1A Q16665 8/20 0.38
▸ EPAS1 Q99814 3/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ MDH1 P40925 2/20 0.37
▸ MDH2 P40926 2/20 0.37
▸ CASP2 P42575 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ RCE1 Q9Y256 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ EP300 Q09472 1/20 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
SCHEMBL22452504 0.91 HIF1A (0.43) ACACBHIF1AEPAS1NAMPTCASP2
SCHEMBL22452667 0.85 HIF1A (0.44) HIF1AEPAS1MDH1MDH2CASP2
SCHEMBL22453481 0.80 PGR (0.46) HIF1AEPAS1MDH1MDH2CASP2
SCHEMBL22452673 0.79 PGR (0.50) HIF1AEPAS1MDH1MDH2LMNA
SCHEMBL22452670 0.77 LMNA (0.41) HIF1AEPAS1MDH1MDH2CASP2
SCHEMBL22453789 0.76 KMT2A (0.41) HIF1AEPAS1MDH1MDH2CASP2
SCHEMBL22452675 0.76 MDH1 (0.39) HIF1AEPAS1MDH1MDH2CASP2
SCHEMBL22453740 0.76 NPSR1 (0.42) HIF1AEPAS1MDH1MDH2CASP2
SCHEMBL22453037 0.75 HIF1A (0.50) HIF1AEPAS1CASP2LMNAHTT
SCHEMBL22452516 0.73 HIF1A (0.47) HIF1AEPAS1CASP2LMNAHTT

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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