SCHEMBL22453626

SCHEMBL22453626

O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(C(=O)Nc2ccccc2C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 2/20 0.65
▸ HIF1A Q16665 1/20 0.60
▸ EPAS1 Q99814 1/20 0.60
▸ PGR P06401 1/20 0.55
▸ EPHX2 P34913 3/20 0.55
▸ DHODH Q02127 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ NPC1 O15118 2/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ CA9 Q16790 1/20 0.52
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ PKM P14618 1/20 0.48
▸ CASP3 P42574 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47
▸ SIRT5 Q9NXA8 1/20 0.47
▸ KCNK2 O95069 1/20 0.47

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
SCHEMBL22452488 0.94 SERPINE1 (0.64) SERPINE1HIF1AEPAS1PGREPHX2
SCHEMBL22453497 0.93 SERPINE1 (0.57) SERPINE1HIF1AEPAS1PGREPHX2
SCHEMBL22452527 0.93 SERPINE1 (0.57) SERPINE1HIF1AEPAS1PGREPHX2
SCHEMBL22452760 0.89 HIF1A (0.67) SERPINE1HIF1AEPAS1DHODHNPC1
SCHEMBL22453766 0.88 HPGD (0.56) SERPINE1HIF1AEPAS1PGREPHX2
SCHEMBL22453291 0.88 SERPINE1 (0.52) SERPINE1HIF1AEPAS1PGREPHX2
SCHEMBL22452754 0.85 SERPINE1 (0.58) SERPINE1HIF1AEPAS1PGREPHX2
SCHEMBL22452690 0.85 SIRT2 (0.57) SERPINE1HIF1AEPAS1PGREPHX2
SCHEMBL22453292 0.85 SERPINE1 (0.58) SERPINE1HIF1AEPAS1PGREPHX2
SCHEMBL22452498 0.82 HIF1A (0.60) SERPINE1HIF1AEPAS1EPHX2NPC1

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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