SCHEMBL7604807

SCHEMBL7604807

CSc1ccc(S(=O)(=O)Nc2c(C)c(C)c(C)c(C)c2NS(=O)(=O)c2ccc(SC)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 16/20 0.70
KMT2A Q03164 5/20 0.70
TSHR P16473 5/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
MEN1 O00255 4/20 0.65
MAPT P10636 4/20 0.65
ALOX12 P18054 1/20 0.65
MAPK1 P28482 2/20 0.58
POLB P06746 1/20 0.54
ESR1 P03372 1/20 0.53
LMNA P02545 6/20 0.51
HTT P42858 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
GAA P10253 2/20 0.51
ALOX15 P16050 2/20 0.51
TRIM24 O15164 1/20 0.51
JAK2 O60674 1/20 0.49

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
SCHEMBL9189176 0.79 ALDH1A1 (1.00) ALDH1A1KMT2ATSHRSMN1; SMN2MEN1
SCHEMBL1805007 0.76 SMN1; SMN2 (0.59) ALDH1A1KMT2ATSHRSMN1; SMN2MEN1
SCHEMBL22519689 0.75 ALDH1A1 (0.76) ALDH1A1KMT2ATSHRSMN1; SMN2MEN1
SCHEMBL11317326 0.75 ALDH1A1 (0.56) ALDH1A1KMT2ATSHRSMN1; SMN2MEN1
SCHEMBL2372138 0.75 ALDH1A1 (0.56) ALDH1A1KMT2ATSHRSMN1; SMN2MEN1
SCHEMBL4038612 0.74 ALDH1A1 (1.00) ALDH1A1KMT2ATSHRSMN1; SMN2MEN1
SCHEMBL28330129 0.74 TSHR (0.63) ALDH1A1KMT2ATSHRSMN1; SMN2MEN1
SCHEMBL7600578 0.73 ALDH1A1 (0.64) ALDH1A1KMT2ATSHRSMN1; SMN2MEN1
SCHEMBL17912762 0.72 ALDH1A1 (0.63) ALDH1A1KMT2ATSHRSMN1; SMN2MEN1
SCHEMBL11887695 0.71 ALDH1A1 (1.00) ALDH1A1KMT2ATSHRSMN1; SMN2MEN1

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-1239852-A2 BISSULFONAMIDE DERIVATIVES AS ENZYME INHIBITORS Arrow Therapeutics Limited (GB) 2002-09-18 EP disclosed
WO-2001028537-A2 BISSULFONAMIDE DERIVATIVES AS ENZYME INHIBITORS ARROW THERAPEUTICS LIMITED (GB) 2001-04-26 WO disclosed