SCHEMBL22452808

SCHEMBL22452808

O=C(Nc1ccc(Nc2cccc(C(=O)O)n2)cc1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.48
▸ PGR P06401 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ SERPINE1 P05121 2/20 0.47
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ HIF1A Q16665 4/20 0.44
▸ EPHX2 P34913 4/20 0.43
▸ EPAS1 Q99814 1/20 0.42
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL22452982 1.00 CYP2C9 (0.48) CYP2C9PGRNPC1SERPINE1CA1
SCHEMBL22453689 0.95 CYP2C9 (0.44) CYP2C9PGRNPC1SERPINE1CA1
SCHEMBL22452799 0.90 EPHX2 (0.53) PGRNPC1CA1CA2CA9
SCHEMBL22453671 0.87 PGR (0.43) CYP2C9PGRNPC1SERPINE1CA1
SCHEMBL22453295 0.86 PGR (0.44) CYP2C9PGRNPC1EPHX2LMNA
SCHEMBL22453116 0.86 HIF1A (0.47) CYP2C9PGRNPC1CA1CA2
SCHEMBL22452481 0.84 PGR (0.48) CYP2C9PGRNPC1SERPINE1HIF1A
SCHEMBL22453446 0.83 NPC1 (0.44) CYP2C9PGRNPC1HIF1AEPHX2
SCHEMBL22452688 0.83 HIF1A (0.46) CYP2C9PGRNPC1SERPINE1CA1
SCHEMBL22453637 0.82 FAAH (0.55) EPHX2MEN1KMT2A

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
Send feedback