SCHEMBL22452848

SCHEMBL22452848

COC(=O)c1ccccc1Nc1cc(I)cc(Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ EPHX2 P34913 3/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ HIF1A Q16665 9/20 0.42
▸ EPAS1 Q99814 3/20 0.42
▸ MDH1 P40925 2/20 0.41
▸ MDH2 P40926 2/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ EP300 Q09472 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RCE1 Q9Y256 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ATM Q13315 1/20 0.38

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 0.92 MAPT (0.58) MAPTALOX15EPHX2NPC1HIF1A
SCHEMBL22452501 0.91 MAPT (0.55) MAPTALOX15EPHX2NPC1HIF1A
SCHEMBL22452850 0.89 HIF1A (0.52) MAPTEPHX2NPC1HIF1AEPAS1
SCHEMBL22452612 0.87 MAPT (0.46) MAPTALOX15EPHX2NPC1HIF1A
SCHEMBL22452652 0.85 EPHX2 (0.61) MAPTALOX15EPHX2NPC1HIF1A
SCHEMBL22452507 0.85 MAPT (0.53) MAPTALOX15EPHX2NPC1HIF1A
SCHEMBL22453751 0.83 HPGD (0.55) MAPTEPHX2NPC1HIF1AEPAS1
SCHEMBL22452577 0.82 HIF1A (0.51) MAPTALOX15EPHX2NPC1HIF1A
SCHEMBL22453221 0.82 HIF1A (0.51) MAPTALOX15EPHX2NPC1HIF1A
SCHEMBL22453525 0.82 MAPT (0.50) MAPTALOX15EPHX2NPC1HIF1A

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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