SCHEMBL9627720

SCHEMBL9627720

Nc1ccc(Nc2ccc(N)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.80
ALDH1A1 P00352 6/20 0.75
TDP1 Q9NUW8 4/20 0.75
RECQL P46063 3/20 0.75
CASP6 P55212 3/20 0.75
KDM4E B2RXH2 2/20 0.75
POLB P06746 2/20 0.75
GAA P10253 2/20 0.75
MAPT P10636 2/20 0.75
L3MBTL1 Q9Y468 2/20 0.75
NSD2 O96028 2/20 0.75
APEX1 P27695 1/20 0.75
APOBEC3A P31941 1/20 0.75
APOBEC3G Q9HC16 1/20 0.75
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
ELAVL1 Q15717 1/20 0.71
NT5E P21589 3/20 0.63
HSD17B10 Q99714 5/20 0.62
P2RY12 Q9H244 1/20 0.43

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
SCHEMBL9189649 0.91 RAPGEF4 (0.97) RAPGEF4ALDH1A1TDP1RECQLCASP6
SCHEMBL8169859 0.90 RAPGEF4 (0.67) RAPGEF4ALDH1A1TDP1RECQLCASP6
SCHEMBL866958 0.89 RAPGEF4 (1.00) RAPGEF4ALDH1A1TDP1RECQLCASP6
SCHEMBL29516556 0.89 RAPGEF4 (1.00) RAPGEF4ALDH1A1TDP1RECQLCASP6
Ammonia Solution, Strong SCHEMBL7551968 0.88 RAPGEF4 (0.97) RAPGEF4ALDH1A1TDP1RECQLCASP6
Hydrochloric Acid SCHEMBL8652689 0.88 RAPGEF4 (0.97) RAPGEF4ALDH1A1TDP1RECQLCASP6
SCHEMBL343582 0.86 GAA (1.00) RAPGEF4ALDH1A1TDP1RECQLCASP6
SCHEMBL30040076 0.86 GAA (1.00) RAPGEF4ALDH1A1TDP1RECQLCASP6
SCHEMBL10705815 0.85 RAPGEF4 (0.85) RAPGEF4ALDH1A1TDP1RECQLCASP6
SCHEMBL9153370 0.85 ALDH1A1 (0.80) RAPGEF4ALDH1A1TDP1RECQLCASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080047079-A1 Reactive Polyazo Dyes DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-02-28 US disclosed
EP-0260806-B1 COLORATION PROCESS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-04-08 EP disclosed
US-4881942-A HEATING, FIXING, CONTROLLING PH TO 5.8 TO 8.0 IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-11-21 US disclosed
EP-0138303-A1 Naphthalene sulphonic acids IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-04-24 EP disclosed
EP-0090114-A2 Reactive dyes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-10-05 EP disclosed
EP-0066714-A2 Reactive dyestuffs BASF Aktiengesellschaft (DE) 1982-12-15 EP disclosed
US-4300902-A Coloration process IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-11-17 US disclosed
US-4191687-A Reactive dyestuffs containing the residue of 1-hydroxy-7-amino-8-(5'-amino-2',4'-disulphophenylazo)naphthalene-3,6-disulphonic acid IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-03-04 US disclosed