SCHEMBL22453523

SCHEMBL22453523

O=C(O)c1ccccc1Nc1ccc(S(=O)(=O)Nc2ccc(C34CC5CC6CC(C3)C54C6)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MEN1 O00255 9/20 0.41
▸ KMT2A Q03164 9/20 0.41
▸ FABP4 P15090 2/20 0.41
▸ GAA P10253 3/20 0.40
▸ MIF P14174 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C2 P52895 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ FABP5 Q01469 1/20 0.39
▸ PKM P14618 1/20 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
SCHEMBL22453449 0.86 HIF1A (0.51) ALDH1A1KDM4EMEN1KMT2AFABP4
SCHEMBL22453521 0.85 EPHX2 (0.47) ALDH1A1KDM4EMEN1KMT2AFABP4
SCHEMBL22452764 0.77 KMT2A (0.48) ALDH1A1KDM4EMEN1KMT2AFABP4
SCHEMBL22452725 0.76 MEN1 (0.46) ALDH1A1KDM4EMEN1KMT2AMIF
SCHEMBL22453772 0.75 MAPT (0.48) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL22452983 0.74 MEN1 (0.48) ALDH1A1KDM4EMEN1KMT2AMIF
SCHEMBL22452498 0.73 HIF1A (0.60) ALDH1A1KDM4EMEN1KMT2AFABP4
SCHEMBL31555348 0.73 HIF1A (0.60) ALDH1A1KDM4EMEN1KMT2AFABP4
SCHEMBL22453451 0.72 TAS2R14 (0.47) FABP4AKR1C3AKR1C2
SCHEMBL22453248 0.71 DHODH (0.49) ALDH1A1MEN1KMT2AGAAPTGS1

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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