SCHEMBL9867004

SCHEMBL9867004

CC(C)NS(=O)(=O)c1cccc(OC(=O)c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 3/20 0.51
HTR2B P41595 1/20 0.48
KMT2A Q03164 5/20 0.47
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
CRHBP P24387 1/20 0.46
HTT P42858 1/20 0.46
CRHR2 Q13324 1/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DUT P33316 1/20 0.46
MEN1 O00255 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
PTPN11 Q06124 1/20 0.43

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
SCHEMBL16000127 0.80 PGR (0.56) KAT6AALDH1A1
SCHEMBL9568752 0.80 HTR2B (0.44) KAT6AHTR2BALDH1A1LMNA
SCHEMBL13543487 0.80 CA1 (0.62) HTR2BKMT2AHDAC8HDAC6PTPN1
SCHEMBL3246077 0.79 HTR2B (0.43) KAT6AHTR2BALDH1A1LMNASMN1; SMN2
SCHEMBL27979378 0.77 CA2 (0.53) KMT2AMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL1409659 0.77 KMT2A (0.53) KMT2AMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL12376754 0.77 KEAP1 (0.57) KAT6AALDH1A1LMNA
SCHEMBL12376737 0.76 HTR2B (0.62) HTR2BKMT2AMAPTALDH1A1LMNA
SCHEMBL13674329 0.75 KMT2A (0.57) KAT6AKMT2AMAPTALDH1A1LMNA
SCHEMBL28097814 0.75 ALDH1A1 (0.43) HTR2BALDH1A1LMNAHDAC8HDAC6

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
US-4987141-A DERIVATIVES OF BENZENE OR PYRIDINE HAVING SULFONATE AND SULFENYL, SULFONIMIDE OR SULFONAMIDE GROUPS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-01-22 US disclosed