SCHEMBL22453521

SCHEMBL22453521

O=C(Nc1ccc(Nc2ccccc2C(=O)O)cc1)Nc1ccc(C23CC4CC5CC(C2)C43C5)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 6/20 0.47
▸ FABP4 P15090 1/20 0.45
▸ PTGS1 P23219 2/20 0.43
▸ AKR1C3 P42330 2/20 0.43
▸ AKR1C2 P52895 2/20 0.43
▸ HIF1A Q16665 1/20 0.42
▸ EPAS1 Q99814 1/20 0.42
▸ P2RX7 Q99572 2/20 0.42
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ TEAD4 Q15561 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 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
SCHEMBL22453523 0.85 ALDH1A1 (0.41) EPHX2FABP4PTGS1AKR1C3AKR1C2
SCHEMBL22453247 0.84 EPHX2 (0.65) EPHX2FABP4PTGS1AKR1C3AKR1C2
SCHEMBL22452498 0.77 HIF1A (0.60) EPHX2FABP4PTGS1AKR1C3AKR1C2
SCHEMBL31555348 0.77 HIF1A (0.60) EPHX2FABP4PTGS1AKR1C3AKR1C2
SCHEMBL22453214 0.76 SIRT2 (0.56) EPHX2PTGS1AKR1C3AKR1C2HIF1A
SCHEMBL22453451 0.76 TAS2R14 (0.47) FABP4AKR1C3AKR1C2DHODHTAS2R14
SCHEMBL22453497 0.75 SERPINE1 (0.57) EPHX2FABP4PTGS1AKR1C3AKR1C2
SCHEMBL22452527 0.75 SERPINE1 (0.57) EPHX2FABP4PTGS1AKR1C3AKR1C2
SCHEMBL22452652 0.72 EPHX2 (0.61) EPHX2HIF1AEPAS1MAPTKDM4E
SCHEMBL22452502 0.72 HIF1A (0.54) EPHX2FABP4PTGS1AKR1C3AKR1C2

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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