SCHEMBL22453629

SCHEMBL22453629

O=C(Nc1ccccc1C(=O)O)c1ccc(Nc2ccc(C34CC5CC(CC3C5)C4)cc2Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 2/20 0.48
▸ PPARG P37231 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ NR1H4 Q96RI1 1/20 0.43
▸ DHODH Q02127 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ PTGES O14684 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ EPAS1 Q99814 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ PKM P14618 1/20 0.41
▸ KCNK2 O95069 1/20 0.41
▸ KCNK10 P57789 1/20 0.41
▸ RPA1 P27694 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ SIRT2 Q8IXJ6 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
SCHEMBL22453292 0.90 SERPINE1 (0.58) SERPINE1PPARGPPARANR1H4DHODH
SCHEMBL22453805 0.87 SERPINE1 (0.51) SERPINE1PPARGPPARANR1H4DHODH
SCHEMBL22453784 0.86 SERPINE1 (0.56) SERPINE1PPARGPPARANR1H4DHODH
SCHEMBL22452711 0.82 DHODH (0.48) SERPINE1DHODHHIF1AEPAS1MEN1
SCHEMBL22452488 0.79 SERPINE1 (0.64) SERPINE1DHODHHIF1AEPAS1MEN1
SCHEMBL22453343 0.79 SIRT2 (0.54) SERPINE1ALDH1A1MEN1KMT2APKM
SCHEMBL22452715 0.79 SERPINE1 (0.64) SERPINE1PPARGPPARANR1H4DHODH
SCHEMBL22453497 0.76 SERPINE1 (0.57) SERPINE1DHODHHIF1AEPAS1MEN1
SCHEMBL22452527 0.76 SERPINE1 (0.57) SERPINE1DHODHHIF1AEPAS1MEN1
SCHEMBL22453626 0.76 SERPINE1 (0.65) SERPINE1DHODHHIF1AEPAS1MEN1

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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