SCHEMBL22452501

SCHEMBL22452501

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ HIF1A Q16665 9/20 0.48
▸ EPAS1 Q99814 3/20 0.48
▸ MDH1 P40925 2/20 0.48
▸ MDH2 P40926 2/20 0.48
▸ EPHX2 P34913 4/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ EP300 Q09472 1/20 0.41
▸ CNR2 P34972 1/20 0.41

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
SCHEMBL22452503 0.94 MAPT (0.58) MAPTALOX15HIF1AEPAS1MDH1
SCHEMBL22452848 0.91 MAPT (0.49) MAPTALOX15HIF1AEPAS1MDH1
SCHEMBL22452612 0.88 MAPT (0.46) MAPTALOX15HIF1AEPAS1MDH1
SCHEMBL22453226 0.88 HIF1A (0.53) MAPTHIF1AEPAS1MDH1MDH2
SCHEMBL22452652 0.88 EPHX2 (0.61) MAPTALOX15HIF1AEPAS1MDH1
SCHEMBL22452507 0.88 MAPT (0.53) MAPTALOX15HIF1AEPAS1MDH1
SCHEMBL22452502 0.88 HIF1A (0.54) MAPTHIF1AEPAS1EPHX2NPC1
SCHEMBL22453773 0.86 HIF1A (0.45) MAPTALOX15HIF1AEPAS1MDH1
SCHEMBL22452506 0.86 EPHX2 (0.46) MAPTALOX15HIF1AEPAS1MDH1
SCHEMBL22453525 0.85 MAPT (0.50) MAPTALOX15HIF1AEPAS1MDH1

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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