SCHEMBL22452751

SCHEMBL22452751

O=C(NCc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(Nc2ccccc2C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.51
▸ EPAS1 Q99814 1/20 0.51
▸ MT-CO2 P00403 1/20 0.49
▸ PPARG P37231 12/20 0.48
▸ PPARA Q07869 9/20 0.48
▸ SERPINE1 P05121 1/20 0.48
▸ PPARD Q03181 6/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CYP2C9 P11712 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ EPHX2 P34913 1/20 0.43

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
SCHEMBL22452752 0.89 SIRT2 (0.59) HIF1AEPAS1MT-CO2PPARGPPARA
SCHEMBL22452527 0.86 SERPINE1 (0.57) HIF1AEPAS1SERPINE1MEN1KMT2A
SCHEMBL22453497 0.86 SERPINE1 (0.57) HIF1AEPAS1SERPINE1MEN1KMT2A
SCHEMBL31555348 0.85 HIF1A (0.60) HIF1AEPAS1SERPINE1MEN1KMT2A
SCHEMBL22452498 0.85 HIF1A (0.60) HIF1AEPAS1SERPINE1MEN1KMT2A
SCHEMBL22452488 0.83 SERPINE1 (0.64) HIF1AEPAS1SERPINE1MEN1KMT2A
SCHEMBL22453247 0.81 EPHX2 (0.65) HIF1AEPAS1SERPINE1MEN1KMT2A
SCHEMBL22453340 0.80 HIF1A (0.56) HIF1AEPAS1MEN1KMT2ASIRT2
SCHEMBL22453626 0.80 SERPINE1 (0.65) HIF1AEPAS1SERPINE1MEN1KMT2A
SCHEMBL22452502 0.80 HIF1A (0.54) HIF1AEPAS1SERPINE1MEN1KMT2A

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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