SCHEMBL7339922

SCHEMBL7339922

CS(=O)(=O)NCc1cc2c(cc1N)OCO2.CS(=O)(=O)NCc1cc2c(cc1N)OCO2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
POLB P06746 3/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 2/20 0.39
MCL1 Q07820 1/20 0.39
PKM P14618 1/20 0.37
ATM Q13315 1/20 0.36
RAB9A P51151 1/20 0.35
HPGD P15428 2/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL6970062 1.00 KMT2A (0.39) KMT2APOLBMAPTL3MBTL1MEN1
SCHEMBL13754293 0.75 MAPT (0.48) KMT2APOLBMAPTL3MBTL1MEN1
SCHEMBL6970033 0.74 L3MBTL1 (0.64) KMT2APOLBMAPTL3MBTL1MEN1
Dimethylamine SCHEMBL11267691 0.74 MEN1 (0.44) KMT2APOLBMAPTL3MBTL1MEN1
SCHEMBL30860765 0.73 PTGS1 (0.44) KMT2APOLBMAPTL3MBTL1MEN1
SCHEMBL22549409 0.71 MEN1 (0.39) KMT2APOLBMAPTL3MBTL1MEN1
SCHEMBL6422411 0.69 HPGD (0.34) KMT2AMEN1PKMHPGD
SCHEMBL28498453 0.69 NQO2 (0.40) KMT2APOLBMAPTL3MBTL1MEN1
SCHEMBL16372578 0.68 CYP3A4 (0.49) KMT2APOLBMAPTL3MBTL1MEN1
SCHEMBL21591954 0.67 MAPT (0.44) KMT2APOLBMAPTL3MBTL1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0819125-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-01-21 EP disclosed
WO-1996031492-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1996-10-10 WO disclosed