SCHEMBL9627414

SCHEMBL9627414

O=S(=O)(O)c1cccc([N]CCO)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SENP3 Q9H4L4 2/20 0.43
SENP2 Q9HC62 2/20 0.43
SENP1 Q9P0U3 2/20 0.43
SUMO2 P61956 1/20 0.43
SUMO1 P63165 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
CYP2D6 P10635 1/20 0.41
NOS1 P29475 1/20 0.39
CA2 P00918 5/20 0.37
CA9 Q16790 5/20 0.37

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
SCHEMBL6240592 0.81 TSHR (0.47) TDP1TSHRALDH1A1HSD17B10SENP3
SCHEMBL7838580 0.80 SENP3 (0.42) TDP1TSHRALDH1A1HSD17B10SENP3
SCHEMBL7803303 0.79 SENP3 (0.41) TDP1TSHRALDH1A1HSD17B10SENP3
SCHEMBL3308195 0.77 SENP3 (0.62) TDP1TSHRALDH1A1HSD17B10SENP3
SCHEMBL3308193 0.77 SENP3 (0.62) TDP1TSHRALDH1A1HSD17B10SENP3
SCHEMBL7759866 0.77 TDP1 (0.38) TDP1TSHRALDH1A1HSD17B10SENP3
SCHEMBL7839508 0.76 TDP1 (0.37) TDP1TSHRALDH1A1HSD17B10SENP3
SCHEMBL3876794 0.76 TSHR (0.53) TDP1TSHRALDH1A1HSD17B10SENP3
SCHEMBL8915272 0.74 TDP1 (0.52) TDP1TSHRALDH1A1HSD17B10SENP3
SCHEMBL7050591 0.74 TSHR (0.52) TDP1TSHRALDH1A1HSD17B10SENP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5175261-A Useful for coloring cellulose materials, animal furs or leather IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-12-29 US disclosed
EP-0260806-B1 COLORATION PROCESS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-04-08 EP disclosed
EP-0471454-A1 Reactive pyridone azo dyestuffs ZENECA LIMITED (GB) 1992-02-19 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-0260806-A2 Coloration process IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-03-23 EP disclosed
EP-0135381-B1 REACTIVE DYES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-01-28 EP disclosed
EP-0084718-B1 TRIPHENDIOXAZINE DYESTUFFS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-04-16 EP disclosed
EP-0138303-A1 Naphthalene sulphonic acids IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-04-24 EP disclosed
EP-0135381-A1 Reactive dyes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-03-27 EP disclosed
US-4472575-A Triphendioxazine dyestuffs IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-09-18 US disclosed
EP-0090114-A2 Reactive dyes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-10-05 EP disclosed
EP-0084718-A1 Triphendioxazine dyestuffs IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-08-03 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