SCHEMBL22453281

SCHEMBL22453281

CCOC(=O)/C=C/c1ccccc1Nc1ccc(Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 5/20 0.44
▸ EPHX2 P34913 3/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ CNR2 P34972 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ EPAS1 Q99814 1/20 0.40
▸ LMNA P02545 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MDM2 Q00987 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RCE1 Q9Y256 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ RECQL P46063 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ MAPK1 P28482 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
SCHEMBL22453099 0.89 CNR2 (0.41) HIF1AEPHX2CNR2L3MBTL1LMNA
SCHEMBL22452757 0.84 EPHX2 (0.49) HIF1AEPHX2NPC1EPAS1LMNA
SCHEMBL22453750 0.77 CYP4F2 (0.44) HIF1AEPHX2NPC1CNR2EPAS1
SCHEMBL22453741 0.77 EPHX2 (0.49) HIF1AEPHX2NPC1EPAS1LMNA
SCHEMBL22452503 0.73 MAPT (0.58) HIF1AEPHX2NPC1CNR2EPAS1
SCHEMBL22453102 0.73 EPHX2 (0.49) HIF1AEPHX2NPC1EPAS1LMNA
SCHEMBL22453029 0.72 EPHX2 (0.48) HIF1AEPHX2NPC1CNR2EPAS1
SCHEMBL22452479 0.72 EPHX2 (0.50) HIF1AEPHX2NPC1CNR2EPAS1
SCHEMBL22452498 0.71 HIF1A (0.60) HIF1AEPHX2NPC1EPAS1LMNA
SCHEMBL31555348 0.71 HIF1A (0.60) HIF1AEPHX2NPC1EPAS1LMNA

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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