SCHEMBL10488690

SCHEMBL10488690

CC(=O)NCc1ccc(N)cc1S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.44
TDP1 Q9NUW8 4/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 2/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
RECQL P46063 2/20 0.43
CASP6 P55212 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ELAVL1 Q15717 1/20 0.43
NSD2 O96028 1/20 0.42
APEX1 P27695 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
EPHX2 P34913 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
HSD17B10 Q99714 2/20 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
SCHEMBL22690198 0.88 ALDH1A1 (0.48) RAPGEF4TDP1ALDH1A1KDM4EPOLB
SCHEMBL7720133 0.83 RAPGEF4 (0.47) RAPGEF4TDP1ALDH1A1KDM4EPOLB
SCHEMBL11695199 0.80 HSD17B10 (0.45) RAPGEF4TDP1ALDH1A1KDM4EPOLB
SCHEMBL157161 0.79 RAPGEF4 (0.49) RAPGEF4TDP1ALDH1A1KDM4EPOLB
SCHEMBL11695007 0.78 RAPGEF4 (0.43) RAPGEF4TDP1ALDH1A1KDM4EPOLB
SCHEMBL29399463 0.77 RAPGEF4 (0.50) RAPGEF4TDP1ALDH1A1KDM4EPOLB
SCHEMBL29963180 0.77 RAPGEF4 (0.50) RAPGEF4TDP1ALDH1A1KDM4EPOLB
SCHEMBL6427620 0.77 RAPGEF4 (0.50) RAPGEF4TDP1ALDH1A1KDM4EPOLB
SCHEMBL9628291 0.77 RAPGEF4 (0.50) RAPGEF4TDP1ALDH1A1KDM4EPOLB
SCHEMBL30839521 0.76 RAPGEF4 (0.44) RAPGEF4TDP1ALDH1A1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4864018-A REACTIVE TRIAZINE-TYPE DYES HAVING PREFERENTIAL BINDING CAPACITY FOR BIOLOGICAL MOLECULES; PROTEIN AND ENZYMES ADSORBENTS AND PRECIPITATES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-09-05 US disclosed
EP-0209284-A2 Anthraquinone derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-01-21 EP disclosed