SCHEMBL7839760

SCHEMBL7839760

C=CS(=O)(=O)CCC[N]c1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.41
CYP2D6 P10635 1/20 0.41
LMNA P02545 1/20 0.36
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
NT5E P21589 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RPS6KA3 P51812 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PHLPP2 Q6ZVD8 1/20 0.31

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
SCHEMBL7843599 0.90 TDP1 (0.46) TDP1POLBCYP2D6LMNATSHR
SCHEMBL7840012 0.83 CA12 (0.33) ALDH1A1
SCHEMBL7759866 0.82 TDP1 (0.38) TDP1POLBCYP2D6TSHRALDH1A1
SCHEMBL7760688 0.82 CA2 (0.33) POLBCYP2D6
SCHEMBL7836795 0.79 APLNR (0.42) TSHRALDH1A1KMT2ASMN1; SMN2
SCHEMBL7803208 0.77 POLB (0.40) TDP1POLBCYP2D6LMNATSHR
SCHEMBL7838580 0.73 SENP3 (0.42) TDP1POLBCYP2D6TSHRALDH1A1
SCHEMBL7839192 0.72 CA12 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL2447623 0.72 CYP2D6 (0.52) TDP1POLBCYP2D6LMNATSHR
SCHEMBL7759383 0.72 TDP1 (0.43) TDP1LMNATSHRALDH1A1NT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0675172-B1 Water-solable azo compounds, process for their preparation and their use as dyestuffs DYSTAR TEXTILFARBEN GMBH & CO (DE) 2001-04-11 EP disclosed
US-5770709-A BRILLIANT COLOR SHADES, GOOD FASTNESS DURING USE AT HIGH DEGREE OF FIXING DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 1998-06-23 US disclosed
EP-0629667-B1 Water-soluble fiber-reactive dyes, process for their preparation and the use thereof HOECHST AG (DE) 1998-02-25 EP disclosed
US-5539088-A PROVIDE DYEINGS IN BRILLIANT SHADES WITH GOOD FASTNESS PROPERTIES AND HIGH DEGREE OF FIXATION HOECHST AKTIENGESELLSCHAFT (DE) 1996-07-23 US disclosed
EP-0629667-A1 Water-soluble fiber-reactive dyes, process for their preparation and the use thereof HOECHST AKTIENGESELLSCHAFT (DE) 1994-12-21 EP disclosed