SCHEMBL22452850

SCHEMBL22452850

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 2/20 0.52
▸ EPAS1 Q99814 2/20 0.52
▸ EPHX2 P34913 4/20 0.47
▸ SERPINE1 P05121 2/20 0.46
▸ FABP4 P15090 1/20 0.45
▸ NPC1 O15118 1/20 0.43
▸ PTGS1 P23219 3/20 0.43
▸ AKR1C3 P42330 2/20 0.43
▸ AKR1C2 P52895 2/20 0.43
▸ TTR P02766 1/20 0.43
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TEAD4 Q15561 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PTGS2 P35354 2/20 0.39
▸ TAS2R14 Q9NYV8 5/20 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
SCHEMBL22452498 0.91 HIF1A (0.60) HIF1AEPAS1EPHX2SERPINE1FABP4
SCHEMBL31555348 0.91 HIF1A (0.60) HIF1AEPAS1EPHX2SERPINE1FABP4
SCHEMBL22452502 0.90 HIF1A (0.54) HIF1AEPAS1EPHX2SERPINE1FABP4
SCHEMBL22452485 0.89 EPHX2 (0.52) HIF1AEPAS1EPHX2SERPINE1FABP4
SCHEMBL22452848 0.89 MAPT (0.49) HIF1AEPAS1EPHX2NPC1MAPT
SCHEMBL22452492 0.86 TAS2R14 (0.56) HIF1AEPAS1EPHX2FABP4PTGS1
SCHEMBL22453247 0.84 EPHX2 (0.65) HIF1AEPAS1EPHX2SERPINE1FABP4
SCHEMBL22452477 0.83 DHODH (0.50) HIF1AEPAS1SERPINE1NPC1PTGS1
SCHEMBL22452488 0.82 SERPINE1 (0.64) HIF1AEPAS1EPHX2SERPINE1NPC1
SCHEMBL22453497 0.81 SERPINE1 (0.57) HIF1AEPAS1EPHX2SERPINE1FABP4

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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