SCHEMBL6234002

SCHEMBL6234002

NCCc1ccc(N)cc1S(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.47
ALDH1A1 P00352 6/20 0.45
TDP1 Q9NUW8 5/20 0.45
RECQL P46063 4/20 0.45
CASP6 P55212 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
KDM4E B2RXH2 2/20 0.45
POLB P06746 2/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
NSD2 O96028 2/20 0.45
APEX1 P27695 2/20 0.45
APOBEC3A P31941 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ELAVL1 Q15717 1/20 0.43
NT5E P21589 3/20 0.41
TSHR P16473 3/20 0.41
HSD17B10 Q99714 5/20 0.40

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
SCHEMBL29963180 0.92 RAPGEF4 (0.50) RAPGEF4ALDH1A1TDP1RECQLCASP6
SCHEMBL6427620 0.92 RAPGEF4 (0.50) RAPGEF4ALDH1A1TDP1RECQLCASP6
SCHEMBL11479053 0.91 RAPGEF4 (0.44) RAPGEF4ALDH1A1TDP1RECQLCASP6
SCHEMBL7718118 0.87 RAPGEF4 (0.49) RAPGEF4ALDH1A1TDP1RECQLCASP6
SCHEMBL4082815 0.86 RAPGEF4 (0.45) RAPGEF4ALDH1A1TDP1RECQLCASP6
SCHEMBL11128294 0.86 RAPGEF4 (0.45) RAPGEF4ALDH1A1TDP1RECQLCASP6
SCHEMBL10799496 0.86 RAPGEF4 (0.45) RAPGEF4ALDH1A1TDP1RECQLCASP6
SCHEMBL9628291 0.85 RAPGEF4 (0.50) RAPGEF4ALDH1A1TDP1RECQLCASP6
SCHEMBL29399463 0.85 RAPGEF4 (0.50) RAPGEF4ALDH1A1TDP1RECQLCASP6
SCHEMBL1807072 0.84 ALDH1A1 (0.44) ALDH1A1TDP1RECQLCASP6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0385120-B2 Fiber reactive asymmetric dioxazine compounds and their use as fiber reactive dyes SUMITOMO CHEMICAL CO (JP) 2005-06-15 EP disclosed
US-5438137-A Colorfast bright blue dyes SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-08-01 US disclosed
EP-0385120-B1 Fiber reactive asymmetric dioxazine compounds and their use as fiber reactive dyes SUMITOMO CHEMICAL CO (JP) 1995-04-19 EP disclosed
US-5272267-A Asymmetric dioxazine compounds having a triazinyl bridging group and a method of production and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-12-21 US disclosed
EP-0385120-A1 Fiber reactive asymmetric dioxazine compounds and their use as fiber reactive dyes SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-09-05 EP disclosed
US-4051134-A Reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 US disclosed