SCHEMBL22453449

SCHEMBL22453449

O=C(O)c1ccccc1Nc1ccc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.51
▸ EPAS1 Q99814 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ EPHX2 P34913 2/20 0.46
▸ FABP4 P15090 1/20 0.44
▸ MEN1 O00255 7/20 0.43
▸ KMT2A Q03164 7/20 0.43
▸ GAA P10253 2/20 0.43
▸ GFER P55789 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MIF P14174 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ AKR1C3 P42330 1/20 0.42
▸ AKR1C2 P52895 1/20 0.42
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ PKM P14618 1/20 0.41

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
SCHEMBL22452764 0.90 KMT2A (0.48) HIF1AEPAS1ALDH1A1KDM4EEPHX2
SCHEMBL22453772 0.89 MAPT (0.48) HIF1AEPAS1ALDH1A1KDM4EEPHX2
SCHEMBL22452498 0.88 HIF1A (0.60) HIF1AEPAS1ALDH1A1KDM4EEPHX2
SCHEMBL31555348 0.88 HIF1A (0.60) HIF1AEPAS1ALDH1A1KDM4EEPHX2
SCHEMBL22452725 0.87 MEN1 (0.46) HIF1AEPAS1ALDH1A1KDM4EMEN1
SCHEMBL22453523 0.86 ALDH1A1 (0.41) ALDH1A1KDM4EEPHX2FABP4MEN1
SCHEMBL22452983 0.85 MEN1 (0.48) HIF1AEPAS1ALDH1A1KDM4EMEN1
SCHEMBL22453248 0.84 DHODH (0.49) HIF1AEPAS1ALDH1A1EPHX2MEN1
SCHEMBL28695220 0.84 EPHX2 (0.43) ALDH1A1EPHX2MEN1KMT2AGAA
SCHEMBL22453247 0.83 EPHX2 (0.65) HIF1AEPAS1ALDH1A1KDM4EEPHX2

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