SCHEMBL22452479

SCHEMBL22452479

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 5/20 0.50
▸ HIF1A Q16665 4/20 0.47
▸ EPAS1 Q99814 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RCE1 Q9Y256 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ SERPINE1 P05121 1/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ RECQL P46063 1/20 0.37

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
SCHEMBL22452506 0.94 EPHX2 (0.46) EPHX2HIF1AEPAS1NPC1SMN1; SMN2
SCHEMBL22453625 0.94 EPHX2 (0.45) EPHX2HIF1AEPAS1NPC1SMN1; SMN2
SCHEMBL22452498 0.85 HIF1A (0.60) EPHX2HIF1AEPAS1NPC1SMN1; SMN2
SCHEMBL31555348 0.85 HIF1A (0.60) EPHX2HIF1AEPAS1NPC1SMN1; SMN2
SCHEMBL22452503 0.84 MAPT (0.58) EPHX2HIF1AEPAS1NPC1LMNA
SCHEMBL23591772 0.82 EPHX2 (0.54) EPHX2HIF1AEPAS1NPC1SMN1; SMN2
SCHEMBL22452502 0.80 HIF1A (0.54) EPHX2HIF1AEPAS1NPC1MAPT
SCHEMBL22452501 0.80 MAPT (0.55) EPHX2HIF1AEPAS1NPC1MAPT
SCHEMBL22453029 0.79 EPHX2 (0.48) EPHX2HIF1AEPAS1NPC1SMN1; SMN2
SCHEMBL22453247 0.79 EPHX2 (0.65) EPHX2HIF1AEPAS1NPC1SMN1; SMN2

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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