SCHEMBL22452485

SCHEMBL22452485

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ EPAS1 Q99814 1/20 0.52
▸ PTGS1 P23219 3/20 0.45
▸ AKR1C3 P42330 2/20 0.45
▸ AKR1C2 P52895 2/20 0.45
▸ FABP4 P15090 1/20 0.45
▸ SERPINE1 P05121 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TEAD4 Q15561 1/20 0.43
▸ TTR P02766 1/20 0.43
▸ CDC7 O00311 2/20 0.42
▸ DAPK3 O43293 2/20 0.42
▸ PIM1 P11309 2/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ FLT3 P36888 2/20 0.42

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) EPHX2HIF1AEPAS1PTGS1AKR1C3
SCHEMBL31555348 0.91 HIF1A (0.60) EPHX2HIF1AEPAS1PTGS1AKR1C3
SCHEMBL22452502 0.90 HIF1A (0.54) EPHX2HIF1AEPAS1PTGS1AKR1C3
SCHEMBL22452850 0.89 HIF1A (0.52) EPHX2HIF1AEPAS1PTGS1AKR1C3
SCHEMBL22452492 0.89 TAS2R14 (0.56) EPHX2HIF1AEPAS1PTGS1AKR1C3
SCHEMBL22453247 0.84 EPHX2 (0.65) EPHX2HIF1AEPAS1PTGS1AKR1C3
SCHEMBL22452800 0.82 HIF1A (0.51) EPHX2HIF1AEPAS1PTGS1AKR1C3
SCHEMBL22453497 0.81 SERPINE1 (0.57) EPHX2HIF1AEPAS1PTGS1AKR1C3
SCHEMBL22452527 0.81 SERPINE1 (0.57) EPHX2HIF1AEPAS1PTGS1AKR1C3
SCHEMBL22452810 0.81 HIF1A (0.53) EPHX2HIF1AEPAS1PTGS1AKR1C3

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