SCHEMBL22453525

SCHEMBL22453525

COC(=O)c1ccccc1Nc1ccc(Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ EPHX2 P34913 3/20 0.43
▸ PTGS2 P35354 1/20 0.42
▸ SIRT2 Q8IXJ6 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ HIF1A Q16665 6/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ EPAS1 Q99814 2/20 0.41
▸ SERPINE1 P05121 2/20 0.40
▸ MDH1 P40925 1/20 0.40
▸ MDH2 P40926 1/20 0.40
▸ GPR55 Q9Y2T6 1/20 0.40
▸ CNR2 P34972 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
SCHEMBL22452790 0.92 SERPINE1 (0.51) MAPTALOX15SIRT2NPC1TSHR
SCHEMBL22453680 0.92 SERPINE1 (0.53) MAPTALOX15NPC1TSHRHSD17B10
SCHEMBL22453774 0.90 LMNA (0.47) MAPTALOX15HSD17B10KMT2AMEN1
SCHEMBL22453775 0.90 LMNA (0.49) MAPTALOX15TSHRHSD17B10KMT2A
SCHEMBL22452617 0.90 TAS2R14 (0.44) MAPTALOX15EPHX2PTGS2TSHR
SCHEMBL22453205 0.89 MAPT (0.46) MAPTALOX15EPHX2HIF1AEPAS1
SCHEMBL22452486 0.88 HIF1A (0.50) MAPTEPHX2PTGS2NPC1HIF1A
SCHEMBL22452503 0.88 MAPT (0.58) MAPTALOX15EPHX2SIRT2NPC1
SCHEMBL22453322 0.88 POLB (0.44) MAPTEPHX2NPC1HIF1ALMNA
SCHEMBL22452762 0.87 SIRT2 (0.46) EPHX2SIRT2NPC1HIF1AEPAS1

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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