SCHEMBL8960299

SCHEMBL8960299

CCNc1ccc(N)cc1S(=O)(=O)O.Nc1ccc(NCCO)c(S(=O)(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.51
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 3/20 0.50
GAA P10253 3/20 0.50
MAPT P10636 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
POLB P06746 2/20 0.50
RECQL P46063 2/20 0.50
CASP6 P55212 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
ELAVL1 Q15717 1/20 0.50
HSD17B10 Q99714 3/20 0.49
NSD2 O96028 1/20 0.49
APEX1 P27695 1/20 0.49
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
NT5E P21589 2/20 0.43
HPGD P15428 2/20 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
SCHEMBL6578153 0.93 RAPGEF4 (0.58) RAPGEF4KDM4EALDH1A1GAAMAPT
SCHEMBL9083398 0.91 RAPGEF4 (0.59) RAPGEF4KDM4EALDH1A1GAAMAPT
SCHEMBL10576785 0.84 RAPGEF4 (0.55) RAPGEF4KDM4EALDH1A1GAAMAPT
SCHEMBL10536585 0.81 RAPGEF4 (0.43) RAPGEF4KDM4EALDH1A1GAAMAPT
SCHEMBL4844624 0.81 RAPGEF4 (0.46) RAPGEF4KDM4EALDH1A1GAAMAPT
SCHEMBL8164203 0.81 RAPGEF4 (0.58) RAPGEF4KDM4EALDH1A1GAAMAPT
SCHEMBL9329308 0.79 RAPGEF4 (0.47) RAPGEF4KDM4EALDH1A1GAAMAPT
Sulfuric Acid SCHEMBL10587043 0.78 RAPGEF4 (0.38) RAPGEF4KDM4EALDH1A1GAAMAPT
SCHEMBL17774590 0.78 ALDH1A1 (0.44) RAPGEF4KDM4EALDH1A1GAAMAPT
SCHEMBL8164756 0.78 CA2 (0.43) RAPGEF4KDM4EALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0694588-A1 Triphendioxazine reactive dyes, preparation and use thereof BAYER AG (DE) 1996-01-31 EP disclosed