SCHEMBL22453203

SCHEMBL22453203

CCOC(=O)c1ccccc1Nc1ccc(N(C)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.54
▸ CDC25B P30305 5/20 0.44
▸ HIF1A Q16665 2/20 0.43
▸ CDC25A P30304 1/20 0.43
▸ CDC25C P30307 1/20 0.43
▸ EPAS1 Q99814 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ RCE1 Q9Y256 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RECQL P46063 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ METTL3 Q86U44 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 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
SCHEMBL22452810 0.86 HIF1A (0.53) CNR2HIF1AEPAS1LMNAHTT
SCHEMBL22453206 0.81 CNR2 (0.45) CNR2HIF1AEPAS1LMNAHTT
SCHEMBL22452503 0.81 MAPT (0.58) CNR2HIF1AEPAS1LMNAHTT
SCHEMBL22453425 0.80 HIF1A (0.43) CNR2HIF1AEPAS1LMNAHTT
SCHEMBL22452507 0.77 MAPT (0.53) CNR2HIF1AEPAS1EPHX2NPC1
SCHEMBL22452652 0.77 EPHX2 (0.61) CNR2HIF1AEPAS1LMNAEPHX2
SCHEMBL22452938 0.77 HIF1A (0.44) HIF1AEPAS1LMNAHTTNPSR1
SCHEMBL22452501 0.76 MAPT (0.55) CNR2HIF1AEPAS1NPSR1EPHX2
SCHEMBL22453029 0.76 EPHX2 (0.48) CNR2HIF1AEPAS1LMNAEPHX2
SCHEMBL22452498 0.75 HIF1A (0.60) CDC25BHIF1AEPAS1LMNAEPHX2

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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