SCHEMBL6578153

SCHEMBL6578153

Nc1ccc(NCCO)c(S(=O)(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.58
ALDH1A1 P00352 6/20 0.55
TDP1 Q9NUW8 5/20 0.55
RECQL P46063 4/20 0.55
KDM4E B2RXH2 2/20 0.55
POLB P06746 2/20 0.55
GAA P10253 2/20 0.55
MAPT P10636 2/20 0.55
CASP6 P55212 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
NSD2 O96028 2/20 0.55
APEX1 P27695 1/20 0.55
APOBEC3A P31941 1/20 0.55
APOBEC3G Q9HC16 1/20 0.55
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
ELAVL1 Q15717 1/20 0.52
HSD17B10 Q99714 5/20 0.48
NT5E P21589 3/20 0.48
ALOX15 P16050 3/20 0.38

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
SCHEMBL8960299 0.93 RAPGEF4 (0.51) RAPGEF4ALDH1A1TDP1RECQLKDM4E
SCHEMBL10576785 0.91 RAPGEF4 (0.55) RAPGEF4ALDH1A1TDP1RECQLKDM4E
SCHEMBL4844624 0.87 RAPGEF4 (0.46) RAPGEF4ALDH1A1TDP1RECQLKDM4E
SCHEMBL8164203 0.87 RAPGEF4 (0.58) RAPGEF4ALDH1A1TDP1RECQLKDM4E
SCHEMBL10536585 0.87 RAPGEF4 (0.43) RAPGEF4ALDH1A1TDP1RECQLKDM4E
SCHEMBL8164756 0.84 CA2 (0.43) RAPGEF4ALDH1A1TDP1RECQLKDM4E
SCHEMBL17774590 0.84 ALDH1A1 (0.44) RAPGEF4ALDH1A1TDP1RECQLKDM4E
SCHEMBL9152694 0.84 RAPGEF4 (0.55) RAPGEF4ALDH1A1TDP1RECQLKDM4E
SCHEMBL8412044 0.84 RAPGEF4 (0.55) RAPGEF4ALDH1A1TDP1RECQLKDM4E
SCHEMBL9153315 0.83 RAPGEF4 (0.54) RAPGEF4ALDH1A1TDP1RECQLKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102911523-A Blue reactive dye and preparation method thereof TIANJIN DEKAI CHEM IND CO LTD 2013-02-06 CN claimed
CN-102911523-A Blue reactive dye and preparation method thereof TIANJIN DEKAI CHEM IND CO LTD 2013-02-06 CN disclosed
EP-1036825-B1 Reactive dyestuffs, process for their preparation and use thereof CIBA SC HOLDING AG (CH) 2004-05-06 EP disclosed
US-6592634-B1 Dioxazine and triazine dyes CIBA SPECIALTY CHEMICALS CORPORATION 2003-07-15 US disclosed
EP-1036825-A1 Reactive dyestuffs, process for their preparation and use thereof Ciba SC Holding AG (CH) 2000-09-20 EP disclosed
CN-1266870-A Active dye, preparing method and use thereof CIBA SC HOLDING AG (CH) 2000-09-20 CN disclosed
EP-0356014-B1 Reactive Dyes ZENECA LTD (GB) 1994-11-30 EP disclosed
EP-0311893-B1 PROCESS FOR THE PREPARATION OF 2,5-BIS-(AMINOARYLAMINO)BENZOQUINONES BAYER AG (DE) 1992-12-30 EP disclosed
EP-0356014-A1 Reactive Dyes ZENECA LIMITED (GB) 1990-02-28 EP disclosed
US-4851527-A Water-soluble triphendioxazine compounds HOECHST AKTIENGESELLSCHAFT (DE) 1989-07-25 US disclosed
US-4400504-A DYEING AND PRINTING CELLULOSE AND POLYAMIDE AND-URETHANE FIBERS; TRIAZINE, PYRIDINE AND PYRIMIDINE DYES BAYER AKTIENGESELLSCHAFT (DE) 1983-08-23 US disclosed