SCHEMBL22453544

SCHEMBL22453544

O=C(O)c1cccc(Nc2cccc(C(=O)Nc3ccc(C45CC6CC(CC4C6)C5)cc3)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.54
HPSE Q9Y251 1/20 0.48
HIF1A Q16665 1/20 0.48
EPAS1 Q99814 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPK14 Q16539 3/20 0.47
NR1H4 Q96RI1 2/20 0.45
PKM P14618 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL22453450 0.93 EPHX2 (0.56) EPHX2HPSEHIF1AEPAS1MEN1
SCHEMBL22453343 0.88 SIRT2 (0.54) EPHX2MEN1KMT2AMAPK14PKM
SCHEMBL22453034 0.88 HIF1A (0.61) EPHX2HPSEHIF1AEPAS1MEN1
SCHEMBL22452679 0.84 HIF1A (0.62) EPHX2HPSEHIF1AEPAS1MEN1
SCHEMBL22452806 0.83 HIF1A (0.59) EPHX2HPSEHIF1AEPAS1MEN1
SCHEMBL22453777 0.81 EPHX2 (0.58) EPHX2HIF1AEPAS1MEN1KMT2A
SCHEMBL22452489 0.80 HIF1A (0.62) EPHX2HPSEHIF1AEPAS1MEN1
SCHEMBL22453268 0.80 EPHX2 (0.55) EPHX2MEN1KMT2ANPC1
SCHEMBL22453542 0.76 HIF1A (0.64) EPHX2HIF1AEPAS1NPC1RAB9A
SCHEMBL24292257 0.75 ALDH1A1 (0.43) EPHX2MEN1KMT2APKML3MBTL1

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