SCHEMBL7578741

SCHEMBL7578741

O=S(=O)(Nc1ccccc1O)c1cccs1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.68
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
HKDC1 Q2TB90 1/20 0.68
ALDH1A1 P00352 3/20 0.61
NPC1 O15118 1/20 0.61
GAA P10253 1/20 0.59
TP53 P04637 1/20 0.56
PKM P14618 2/20 0.56
MCOLN3 Q8TDD5 1/20 0.56
PGAM1 P18669 1/20 0.56
MMP2 P08253 1/20 0.56
MAPT P10636 2/20 0.54
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.54
MAPK1 P28482 1/20 0.54
BRD4 O60885 1/20 0.54
NFKBIA P25963 1/20 0.54
RELA Q04206 1/20 0.54
GLO1 Q04760 1/20 0.54

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
SCHEMBL7594332 0.88 ALDH1A1 (0.71) BRAFMEN1KMT2AHKDC1ALDH1A1
SCHEMBL7577180 0.86 TP53 (0.59) BRAFMEN1KMT2AHKDC1ALDH1A1
SCHEMBL2247197 0.81 BRAF (1.00) BRAFMEN1KMT2AHKDC1ALDH1A1
SCHEMBL10878905 0.80 ALDH1A1 (0.61) BRAFMEN1KMT2AHKDC1ALDH1A1
SCHEMBL15009888 0.80 ALDH1A1 (0.61) BRAFMEN1KMT2AHKDC1ALDH1A1
SCHEMBL7569883 0.80 PKM (0.79) BRAFMEN1KMT2AHKDC1ALDH1A1
SCHEMBL7578803 0.80 TP53 (0.73) BRAFMEN1KMT2AHKDC1ALDH1A1
SCHEMBL7573015 0.78 CCR2 (0.64) BRAFMEN1KMT2AHKDC1ALDH1A1
SCHEMBL7570499 0.78 BRAF (0.65) BRAFMEN1KMT2AHKDC1ALDH1A1
SCHEMBL463967 0.78 ALDH1A1 (0.58) BRAFMEN1KMT2AHKDC1ALDH1A1

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