SCHEMBL22453520

SCHEMBL22453520

O=C(O)c1ccccc1C(=O)Nc1ccc(Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 2/20 0.51
▸ GRM1 Q13255 1/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ GFER P55789 1/20 0.46
▸ HIF1A Q16665 1/20 0.45
▸ EPAS1 Q99814 1/20 0.45
▸ EPHX2 P34913 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ PGR P06401 1/20 0.43
▸ GAA P10253 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ PARP1 P09874 1/20 0.39
▸ PARG Q86W56 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SMO Q99835 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
SCHEMBL31555349 1.00 SERPINE1 (0.51) SERPINE1GRM1MEN1KMT2AGFER
SCHEMBL22452486 0.89 HIF1A (0.50) SERPINE1MEN1KMT2AGFERHIF1A
SCHEMBL22452715 0.87 SERPINE1 (0.64) SERPINE1MEN1KMT2AGFERHIF1A
SCHEMBL22452528 0.86 NPC1 (0.56) SERPINE1MEN1KMT2AGFERHIF1A
SCHEMBL22452789 0.85 SERPINE1 (0.61) SERPINE1MEN1KMT2AHIF1AEPAS1
SCHEMBL22453641 0.83 DHODH (0.55) SERPINE1MEN1KMT2AHIF1AEPAS1
SCHEMBL22453415 0.82 SERPINE1 (0.53) SERPINE1MEN1KMT2AGFERHIF1A
SCHEMBL22453322 0.82 POLB (0.44) SERPINE1HIF1AEPAS1EPHX2NPC1
SCHEMBL22452762 0.82 SIRT2 (0.46) SERPINE1HIF1AEPAS1EPHX2NPC1
SCHEMBL22452983 0.82 MEN1 (0.48) SERPINE1MEN1KMT2AHIF1AEPAS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113811300-A Novel small molecule inhibitors of TEAD transcription factor 总医院公司 2021-12-17 — — CN disclosed
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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