SCHEMBL22453247

SCHEMBL22453247

O=C(Nc1ccc(Nc2ccccc2C(=O)O)cc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 8/20 0.65
▸ HIF1A Q16665 1/20 0.58
▸ EPAS1 Q99814 1/20 0.58
▸ NPC1 O15118 2/20 0.53
▸ FABP4 P15090 1/20 0.49
▸ SERPINE1 P05121 1/20 0.47
▸ PTGS1 P23219 1/20 0.46
▸ AKR1C3 P42330 1/20 0.46
▸ AKR1C2 P52895 1/20 0.46
▸ MAPT P10636 3/20 0.45
▸ P2RX7 Q99572 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MEN1 O00255 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ TEAD4 Q15561 1/20 0.43

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 0.93 HIF1A (0.60) EPHX2HIF1AEPAS1NPC1FABP4
SCHEMBL31555348 0.93 HIF1A (0.60) EPHX2HIF1AEPAS1NPC1FABP4
SCHEMBL22453497 0.90 SERPINE1 (0.57) EPHX2HIF1AEPAS1NPC1FABP4
SCHEMBL22452527 0.90 SERPINE1 (0.57) EPHX2HIF1AEPAS1NPC1FABP4
SCHEMBL22452652 0.87 EPHX2 (0.61) EPHX2HIF1AEPAS1NPC1MAPT
SCHEMBL22452502 0.87 HIF1A (0.54) EPHX2HIF1AEPAS1NPC1FABP4
SCHEMBL22452810 0.85 HIF1A (0.53) EPHX2HIF1AEPAS1NPC1FABP4
SCHEMBL22453340 0.85 HIF1A (0.56) EPHX2HIF1AEPAS1NPC1MAPT
SCHEMBL22453511 0.84 HIF1A (0.54) EPHX2HIF1AEPAS1NPC1FABP4
SCHEMBL22452850 0.84 HIF1A (0.52) EPHX2HIF1AEPAS1NPC1FABP4

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
Send feedback