SCHEMBL22453757

SCHEMBL22453757

COC(=O)c1ccccc1Nc1ccc(Oc2ccc(C34CC5(C)CC3CC(C)(C5)C4)cc2Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ PNLIP P16233 10/20 0.41
▸ GCGR P47871 1/20 0.37
▸ PTGS2 P35354 2/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ TOP1 P11387 2/20 0.36
▸ MT-CO2 P00403 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PARG Q86W56 1/20 0.36
▸ STK39 Q9UEW8 1/20 0.36

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
SCHEMBL22453205 0.82 MAPT (0.46) MAPTALOX15PNLIPGCGR
SCHEMBL22453074 0.79 PARP1 (0.41) MAPTPNLIPPTGS2MT-CO2TDP1
SCHEMBL22453760 0.77 RAB9A (0.40) MAPTPNLIPTOP1MEN1KMT2A
SCHEMBL22453440 0.76 TOP1 (0.39) MAPTALOX15PNLIPPTGS2TOP1
SCHEMBL22453597 0.74 MAPT (0.47) MAPTALOX15PNLIPGCGRPTGS2
SCHEMBL22453592 0.73 MRGPRX4 (0.53) MAPTALOX15PNLIPTDP1MEN1
SCHEMBL22452811 0.72 HIF1A (0.52) MAPTPNLIPGCGRTDP1MEN1
SCHEMBL22453480 0.72 MAPT (0.52) MAPTALOX15PTGS2SIRT2MEN1
SCHEMBL22452507 0.71 MAPT (0.53) MAPTALOX15SIRT2MEN1KMT2A
SCHEMBL22453525 0.71 MAPT (0.50) MAPTALOX15PTGS2SIRT2MEN1

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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