SCHEMBL22453292

SCHEMBL22453292

O=C(Nc1ccccc1C(=O)O)c1ccc(Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 2/20 0.58
▸ HIF1A Q16665 1/20 0.49
▸ EPAS1 Q99814 1/20 0.49
▸ PPARG P37231 1/20 0.45
▸ PPARA Q07869 1/20 0.45
▸ NR1H4 Q96RI1 1/20 0.45
▸ DHODH Q02127 2/20 0.45
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ PTGES O14684 1/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ EPHX2 P34913 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ PGR P06401 1/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ RPA1 P27694 1/20 0.41

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
SCHEMBL22453784 0.96 SERPINE1 (0.56) SERPINE1HIF1AEPAS1PPARGPPARA
SCHEMBL22453629 0.90 SERPINE1 (0.48) SERPINE1HIF1AEPAS1PPARGPPARA
SCHEMBL22452715 0.89 SERPINE1 (0.64) SERPINE1HIF1AEPAS1PPARGPPARA
SCHEMBL22452488 0.88 SERPINE1 (0.64) SERPINE1HIF1AEPAS1DHODHMEN1
SCHEMBL22452789 0.86 SERPINE1 (0.61) SERPINE1HIF1AEPAS1PPARGPPARA
SCHEMBL22453220 0.86 SERPINE1 (0.46) SERPINE1HIF1AEPAS1MEN1KMT2A
SCHEMBL22452527 0.85 SERPINE1 (0.57) SERPINE1HIF1AEPAS1DHODHMEN1
SCHEMBL22453497 0.85 SERPINE1 (0.57) SERPINE1HIF1AEPAS1DHODHMEN1
SCHEMBL22453626 0.85 SERPINE1 (0.65) SERPINE1HIF1AEPAS1DHODHMEN1
SCHEMBL22452754 0.81 SERPINE1 (0.58) SERPINE1HIF1AEPAS1MEN1KMT2A

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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