SCHEMBL22452673

SCHEMBL22452673

COC(=O)c1ccccc1N(C)c1ccc(C(=O)N(C)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 3/20 0.50
▸ HIF1A Q16665 7/20 0.43
▸ NPC1 O15118 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RCE1 Q9Y256 1/20 0.40
▸ EPAS1 Q99814 3/20 0.39
▸ MDH1 P40925 2/20 0.39
▸ MDH2 P40926 2/20 0.39
▸ EP300 Q09472 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ TARBP2 Q15633 1/20 0.38
▸ MAOA P21397 1/20 0.38

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
SCHEMBL22452984 0.89 PGR (0.55) PGRHIF1ANPC1LMNAHTT
SCHEMBL22452667 0.87 HIF1A (0.44) PGRHIF1ANPC1LMNAHTT
SCHEMBL22453481 0.86 PGR (0.46) PGRHIF1ANPC1LMNAHTT
SCHEMBL22453337 0.86 HIF1A (0.46) PGRHIF1ANPC1EPAS1MDH1
SCHEMBL22452670 0.82 LMNA (0.41) PGRHIF1ANPC1LMNAHTT
SCHEMBL22453783 0.81 SIRT2 (0.49) PGRHIF1ANPC1LMNAHTT
SCHEMBL22452675 0.81 MDH1 (0.39) PGRHIF1ANPC1LMNAHTT
SCHEMBL22453740 0.81 NPSR1 (0.42) PGRHIF1ANPC1LMNAHTT
SCHEMBL22452516 0.78 HIF1A (0.47) PGRHIF1ANPC1LMNAHTT
SCHEMBL22452514 0.78 NPC1 (0.47) PGRHIF1ANPC1LMNAHTT

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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