SCHEMBL10696544

SCHEMBL10696544

NCCOCCNc1ccc(N)cc1S(=O)(=O)CCS(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
RECQL P46063 2/20 0.35
CASP6 P55212 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NSD2 O96028 1/20 0.35
APEX1 P27695 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
CYP2D6 P10635 1/20 0.35
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ELAVL1 Q15717 1/20 0.34
NT5E P21589 1/20 0.32

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
SCHEMBL10692797 0.87 RAPGEF4 (0.41) RAPGEF4KDM4EALDH1A1POLBGAA
SCHEMBL10694756 0.85 RAPGEF4 (0.40) RAPGEF4KDM4EALDH1A1POLBGAA
SCHEMBL10694725 0.85 RAPGEF4 (0.40) RAPGEF4KDM4EALDH1A1POLBGAA
SCHEMBL10630292 0.81 KMT2A (0.41) RAPGEF4KDM4EALDH1A1POLBGAA
SCHEMBL17774703 0.79 RAPGEF4 (0.39) RAPGEF4KDM4EALDH1A1POLBGAA
SCHEMBL9728996 0.79 RAPGEF4 (0.40) RAPGEF4KDM4EALDH1A1POLBGAA
SCHEMBL10625532 0.78 RAPGEF4 (0.38) RAPGEF4KDM4EALDH1A1POLBGAA
SCHEMBL10390397 0.77 ALDH1A1 (0.38) RAPGEF4KDM4EALDH1A1POLBGAA
SCHEMBL10389511 0.77 CYP2D6 (0.42) RAPGEF4KDM4EALDH1A1POLBGAA
SCHEMBL17774704 0.77 HSD17B10 (0.37) RAPGEF4KDM4EALDH1A1POLBGAA

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