SCHEMBL10692885

SCHEMBL10692885

Nc1nnc(-c2cccc(S(=O)(=O)O)c2)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.57
PIK3C3 Q8NEB9 1/20 0.57
KDM4E B2RXH2 6/20 0.56
ALDH1A1 P00352 6/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MGAM O43451 4/20 0.54
GAA P10253 4/20 0.54
SI P14410 4/20 0.54
MGAM2 Q2M2H8 4/20 0.54
PKM P14618 1/20 0.54
NOTUM Q6P988 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45

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
SCHEMBL14549119 0.82 HSD17B1 (0.44) PIK3CAPIK3C3KDM4EALDH1A1MEN1
Sulfuric Acid SCHEMBL396801 0.79 CSNK2A2 (0.60) PIK3CAPIK3C3KDM4EALDH1A1MEN1
Sulfuric Acid SCHEMBL2380188 0.79 CSNK2A2 (0.60) PIK3CAPIK3C3KDM4EALDH1A1MEN1
SCHEMBL603197 0.76 KDM4E (0.65) KDM4EALDH1A1MEN1KMT2AMGAM
SCHEMBL11324204 0.76 HSD17B1 (0.76) PIK3CAKDM4EALDH1A1MEN1KMT2A
SCHEMBL2833531 0.75 KDM4E (0.69) PIK3CAPIK3C3KDM4EALDH1A1MEN1
SCHEMBL975190 0.74 TSHR (0.61) ALDH1A1HSD17B10TSHRTDP1SMN1; SMN2
SCHEMBL11337791 0.72 ALDH1A1 (1.00) KDM4EALDH1A1MEN1KMT2AMGAM
SCHEMBL3829254 0.72 KDM4E (1.00) KDM4EALDH1A1MEN1KMT2AMGAM
SCHEMBL368725 0.72 KDM4E (0.65) KDM4EALDH1A1MEN1KMT2AMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4754024-A Fibre-reactive azo dyes containing vinylsulfonyl or analogous groups CIBA-GEIGY CORPORATION 1988-06-28 US disclosed
EP-0112285-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1987-03-18 EP disclosed
EP-0112285-A2 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1984-06-27 EP disclosed