SCHEMBL22453784

SCHEMBL22453784

O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1Br)c1ccc(Nc2ccccc2C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 2/20 0.56
▸ HIF1A Q16665 1/20 0.47
▸ EPAS1 Q99814 1/20 0.47
▸ SIRT2 Q8IXJ6 2/20 0.43
▸ PPARG P37231 2/20 0.43
▸ PPARA Q07869 2/20 0.43
▸ NR1H4 Q96RI1 2/20 0.43
▸ EPHX2 P34913 1/20 0.42
▸ DHODH Q02127 2/20 0.42
▸ TAS2R14 Q9NYV8 1/20 0.41
▸ PGR P06401 1/20 0.41
▸ PTGES O14684 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ FABP4 P15090 1/20 0.40

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
SCHEMBL22453292 0.96 SERPINE1 (0.58) SERPINE1HIF1AEPAS1SIRT2PPARG
SCHEMBL22453220 0.90 SERPINE1 (0.46) SERPINE1HIF1AEPAS1SIRT2MEN1
SCHEMBL22452789 0.89 SERPINE1 (0.61) SERPINE1HIF1AEPAS1SIRT2PPARG
SCHEMBL22452527 0.87 SERPINE1 (0.57) SERPINE1HIF1AEPAS1SIRT2EPHX2
SCHEMBL22453497 0.87 SERPINE1 (0.57) SERPINE1HIF1AEPAS1SIRT2EPHX2
SCHEMBL22452715 0.86 SERPINE1 (0.64) SERPINE1HIF1AEPAS1SIRT2PPARG
SCHEMBL22453629 0.86 SERPINE1 (0.48) SERPINE1HIF1AEPAS1SIRT2PPARG
SCHEMBL22452488 0.86 SERPINE1 (0.64) SERPINE1HIF1AEPAS1SIRT2EPHX2
SCHEMBL22453626 0.82 SERPINE1 (0.65) SERPINE1HIF1AEPAS1SIRT2EPHX2
SCHEMBL22452498 0.81 HIF1A (0.60) SERPINE1HIF1AEPAS1EPHX2MEN1

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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