SCHEMBL4650108

SCHEMBL4650108

CC(Nc1cc(N)ccc1S(=O)(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 2/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
RECQL P46063 2/20 0.44
CASP6 P55212 2/20 0.44
NSD2 O96028 1/20 0.44
APEX1 P27695 1/20 0.44
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
RAPGEF4 Q8WZA2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ELAVL1 Q15717 1/20 0.43
HSD17B10 Q99714 2/20 0.37
CASR P41180 1/20 0.37
CA2 P00918 4/20 0.36

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
SCHEMBL28547236 0.83 RAPGEF4 (0.46) ALDH1A1L3MBTL1TDP1KDM4EPOLB
SCHEMBL30040105 0.83 RAPGEF4 (0.46) ALDH1A1L3MBTL1TDP1KDM4EPOLB
SCHEMBL4577441 0.78 ADAMTS4 (0.43) ALDH1A1CA2CA1MMP13MMP1
SCHEMBL9404760 0.77 CA1 (0.45) ALDH1A1TDP1KDM4EGAAMAPT
SCHEMBL7564333 0.76 RAPGEF4 (0.51) ALDH1A1L3MBTL1TDP1KDM4EPOLB
SCHEMBL9459478 0.75 NPC1 (0.50) ALDH1A1L3MBTL1TDP1KDM4EPOLB
SCHEMBL5375586 0.75 ALDH1A1 (0.37) ALDH1A1TDP1KDM4EPOLBGAA
SCHEMBL9459840 0.74 ALDH1A1 (0.48) ALDH1A1L3MBTL1TDP1KDM4EPOLB
SCHEMBL13901754 0.73 ALDH1A1 (0.47) ALDH1A1L3MBTL1TDP1KDM4EPOLB
SCHEMBL9329308 0.72 RAPGEF4 (0.47) ALDH1A1L3MBTL1TDP1KDM4EPOLB

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
EP-1966327-A2 REACTIVE AZO COMPOUNDS ATUL LIMITED (IN) 2008-09-10 EP disclosed
WO-2007026116-A2 REACTIVE AZO COMPOUNDS ATUL LIMITED (IN) 2007-03-08 WO disclosed