SCHEMBL22452489

SCHEMBL22452489

O=C(O)c1cccc(NC(=O)c2ccc(Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 6/20 0.62
EPAS1 Q99814 3/20 0.62
EPHX2 P34913 2/20 0.59
HPSE Q9Y251 1/20 0.56
SERPINE1 P05121 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
PGR P06401 1/20 0.52
NR1H4 Q96RI1 2/20 0.50
MDH1 P40925 1/20 0.49
MDH2 P40926 1/20 0.49
CYP2C9 P11712 1/20 0.49
NPC1 O15118 1/20 0.48

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
SCHEMBL22452806 0.97 HIF1A (0.59) HIF1AEPAS1EPHX2HPSESERPINE1
SCHEMBL22452679 0.95 HIF1A (0.62) HIF1AEPAS1EPHX2HPSESERPINE1
SCHEMBL22453034 0.92 HIF1A (0.61) HIF1AEPAS1EPHX2HPSESERPINE1
SCHEMBL22453450 0.88 EPHX2 (0.56) HIF1AEPAS1EPHX2HPSEMEN1
SCHEMBL22453225 0.84 HIF1A (0.66) HIF1AEPAS1EPHX2MEN1KMT2A
SCHEMBL22453447 0.83 NPC1 (0.59) HIF1AEPAS1EPHX2SERPINE1MEN1
SCHEMBL22453210 0.83 NPC1 (0.59) HIF1AEPAS1EPHX2SERPINE1MEN1
SCHEMBL22452754 0.82 SERPINE1 (0.58) HIF1AEPAS1EPHX2SERPINE1MEN1
SCHEMBL22452533 0.81 ALDH1A1 (0.49) HIF1AEPAS1EPHX2SERPINE1MEN1
SCHEMBL22452488 0.80 SERPINE1 (0.64) HIF1AEPAS1EPHX2SERPINE1MEN1

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