SCHEMBL22452789

SCHEMBL22452789

O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1Cl)c1ccc(Nc2ccccc2C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 2/20 0.61
▸ HIF1A Q16665 1/20 0.47
▸ EPAS1 Q99814 1/20 0.47
▸ MEN1 O00255 6/20 0.44
▸ KMT2A Q03164 6/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ SIRT2 Q8IXJ6 2/20 0.43
▸ PGR P06401 1/20 0.43
▸ TTR P02766 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ NR1H4 Q96RI1 1/20 0.43
▸ EPHX2 P34913 1/20 0.42

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
SCHEMBL22452715 0.96 SERPINE1 (0.64) SERPINE1HIF1AEPAS1MEN1KMT2A
SCHEMBL22452486 0.91 HIF1A (0.50) SERPINE1HIF1AEPAS1MEN1KMT2A
SCHEMBL22452704 0.91 SERPINE1 (0.61) SERPINE1HIF1AEPAS1MEN1KMT2A
SCHEMBL22453805 0.90 SERPINE1 (0.51) SERPINE1HIF1AEPAS1MEN1KMT2A
SCHEMBL22452790 0.90 SERPINE1 (0.51) SERPINE1HIF1AEPAS1MEN1KMT2A
SCHEMBL22453784 0.89 SERPINE1 (0.56) SERPINE1HIF1AEPAS1MEN1KMT2A
SCHEMBL22453497 0.87 SERPINE1 (0.57) SERPINE1HIF1AEPAS1MEN1KMT2A
SCHEMBL22452527 0.87 SERPINE1 (0.57) SERPINE1HIF1AEPAS1MEN1KMT2A
SCHEMBL22453292 0.86 SERPINE1 (0.58) SERPINE1HIF1AEPAS1MEN1KMT2A
SCHEMBL22452488 0.86 SERPINE1 (0.64) 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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