SCHEMBL22453773

SCHEMBL22453773

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 7/20 0.45
▸ MAPT P10636 2/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ LMNA P02545 5/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ EPAS1 Q99814 1/20 0.43
▸ MDH1 P40925 1/20 0.42
▸ MDH2 P40926 1/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ GAA P10253 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 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
SCHEMBL22453772 0.91 MAPT (0.48) HIF1AMAPTALOX15LMNAKMT2A
SCHEMBL22452764 0.90 KMT2A (0.48) HIF1ALMNAKMT2AEPAS1MEN1
SCHEMBL22452501 0.86 MAPT (0.55) HIF1AMAPTALOX15EPAS1MDH1
SCHEMBL22452503 0.83 MAPT (0.58) HIF1AMAPTALOX15LMNAEPAS1
SCHEMBL22453774 0.81 LMNA (0.47) MAPTALOX15LMNAKMT2AMEN1
SCHEMBL22453449 0.79 HIF1A (0.51) HIF1AKMT2AEPAS1MEN1GAA
SCHEMBL22453775 0.79 LMNA (0.49) MAPTALOX15LMNAKMT2AMEN1
SCHEMBL22452652 0.79 EPHX2 (0.61) HIF1AMAPTALOX15LMNAEPAS1
SCHEMBL22452507 0.79 MAPT (0.53) HIF1AMAPTALOX15KMT2AEPAS1
SCHEMBL22452848 0.78 MAPT (0.49) HIF1AMAPTALOX15LMNAEPAS1

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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