SCHEMBL22453625

SCHEMBL22453625

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.45
▸ HIF1A Q16665 3/20 0.43
▸ EPAS1 Q99814 1/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 3/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SIRT2 Q8IXJ6 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ RCE1 Q9Y256 1/20 0.35
▸ FABP4 P15090 1/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TEAD4 Q15561 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL22452479 0.94 EPHX2 (0.50) EPHX2HIF1AEPAS1NPC1MAPT
SCHEMBL22452506 0.89 EPHX2 (0.46) EPHX2HIF1AEPAS1NPC1MAPT
SCHEMBL31555348 0.80 HIF1A (0.60) EPHX2HIF1AEPAS1NPC1MAPT
SCHEMBL22452498 0.80 HIF1A (0.60) EPHX2HIF1AEPAS1NPC1MAPT
SCHEMBL22452503 0.79 MAPT (0.58) EPHX2HIF1AEPAS1NPC1MAPT
SCHEMBL23592103 0.78 EPHX2 (0.45) EPHX2HIF1AEPAS1NPC1MAPT
SCHEMBL23591772 0.77 EPHX2 (0.54) EPHX2HIF1AEPAS1NPC1MAPT
SCHEMBL22452483 0.76 MAPT (0.44) EPHX2HIF1AEPAS1NPC1MAPT
SCHEMBL22452502 0.75 HIF1A (0.54) EPHX2HIF1AEPAS1NPC1MAPT
SCHEMBL22452501 0.75 MAPT (0.55) EPHX2HIF1AEPAS1NPC1MAPT

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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