SCHEMBL10694815

SCHEMBL10694815

Nc1ccc(Nc2ccc(N)c(S(=O)(=O)O)c2)c(S(=O)(=O)CCC(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.55
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 3/20 0.53
GAA P10253 3/20 0.53
POLB P06746 2/20 0.53
MAPT P10636 2/20 0.53
RECQL P46063 2/20 0.53
CASP6 P55212 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
APEX1 P27695 2/20 0.53
NSD2 O96028 1/20 0.53
APOBEC3A P31941 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ELAVL1 Q15717 1/20 0.51
NT5E P21589 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.45
HSD17B10 Q99714 3/20 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
SCHEMBL10693624 0.88 RAPGEF4 (0.58) RAPGEF4KDM4EALDH1A1GAAPOLB
SCHEMBL10693431 0.87 RAPGEF4 (0.59) RAPGEF4KDM4EALDH1A1GAAPOLB
SCHEMBL17774696 0.87 RAPGEF4 (0.59) RAPGEF4KDM4EALDH1A1GAAPOLB
SCHEMBL17774700 0.84 RAPGEF4 (0.55) RAPGEF4KDM4EALDH1A1GAAPOLB
SCHEMBL8431328 0.84 RAPGEF4 (0.77) RAPGEF4KDM4EALDH1A1GAAPOLB
SCHEMBL10347065 0.79 RAPGEF4 (0.65) RAPGEF4KDM4EALDH1A1GAAPOLB
SCHEMBL10693653 0.78 RAPGEF4 (0.59) RAPGEF4KDM4EALDH1A1GAAPOLB
SCHEMBL9189649 0.74 RAPGEF4 (0.97) RAPGEF4KDM4EALDH1A1GAAPOLB
SCHEMBL10696297 0.74 RAPGEF4 (0.68) RAPGEF4KDM4EALDH1A1GAAPOLB
Pimelic Acid SCHEMBL7821391 0.74 RAPGEF4 (0.64) RAPGEF4KDM4EALDH1A1GAAPOLB

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
US-4785099-A FIBER-REACTIVE DYES FOR CELLULOSE HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-15 US disclosed