SCHEMBL22453772

SCHEMBL22453772

COC(=O)c1ccccc1Nc1ccc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ GAA P10253 3/20 0.47
▸ LMNA P02545 4/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ELANE P08246 1/20 0.44
▸ PRTN3 P24158 1/20 0.44
▸ EPHX2 P34913 2/20 0.43
▸ FFAR4 Q5NUL3 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ HPGD P15428 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42

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
SCHEMBL22453773 0.91 HIF1A (0.45) MAPTALOX15MEN1KMT2AGAA
SCHEMBL22453449 0.89 HIF1A (0.51) MEN1KMT2AGAAEPHX2NPC1
SCHEMBL22452503 0.88 MAPT (0.58) MAPTALOX15LMNAEPHX2NPC1
SCHEMBL22453774 0.88 LMNA (0.47) MAPTALOX15MEN1KMT2AGAA
SCHEMBL22453775 0.86 LMNA (0.49) MAPTALOX15MEN1KMT2AGAA
SCHEMBL22453172 0.85 CNR2 (0.53) MAPTMEN1KMT2AGAALMNA
SCHEMBL22452507 0.84 MAPT (0.53) MAPTALOX15MEN1KMT2AEPHX2
SCHEMBL22452652 0.84 EPHX2 (0.61) MAPTALOX15LMNAEPHX2NPC1
SCHEMBL22452501 0.83 MAPT (0.55) MAPTALOX15EPHX2NPC1HPGD
SCHEMBL22452577 0.82 HIF1A (0.51) MAPTALOX15ELANEPRTN3EPHX2

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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