SCHEMBL22452764

SCHEMBL22452764

O=C(O)c1ccccc1Nc1cccc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.48
▸ MEN1 O00255 8/20 0.48
▸ HIF1A Q16665 3/20 0.48
▸ EPAS1 Q99814 1/20 0.48
▸ GAA P10253 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ MIF P14174 1/20 0.42
▸ TAS2R14 Q9NYV8 2/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ AKR1C3 P42330 1/20 0.42
▸ AKR1C2 P52895 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ FABP4 P15090 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ SERPINE1 P05121 1/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL22453449 0.90 HIF1A (0.51) KMT2AMEN1HIF1AEPAS1GAA
SCHEMBL22453773 0.90 HIF1A (0.45) KMT2AMEN1HIF1AEPAS1GAA
SCHEMBL22452502 0.85 HIF1A (0.54) KMT2AMEN1HIF1AEPAS1EPHX2
SCHEMBL31555348 0.82 HIF1A (0.60) KMT2AMEN1HIF1AEPAS1EPHX2
SCHEMBL22452498 0.82 HIF1A (0.60) KMT2AMEN1HIF1AEPAS1EPHX2
SCHEMBL22452725 0.80 MEN1 (0.46) KMT2AMEN1HIF1AEPAS1MIF
SCHEMBL22452690 0.80 SIRT2 (0.57) KMT2AMEN1HIF1AEPAS1EPHX2
SCHEMBL22453772 0.79 MAPT (0.48) KMT2AMEN1HIF1AEPAS1GAA
SCHEMBL22452983 0.78 MEN1 (0.48) KMT2AMEN1HIF1AEPAS1MIF
SCHEMBL22453247 0.78 EPHX2 (0.65) KMT2AMEN1HIF1AEPAS1EPHX2

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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