SCHEMBL9459840

SCHEMBL9459840

Nc1ccc(S(=O)(=O)O)c(NC(=O)C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
TDP1 Q9NUW8 4/20 0.48
KDM4E B2RXH2 2/20 0.48
POLB P06746 2/20 0.48
GAA P10253 2/20 0.48
MAPT P10636 2/20 0.48
RECQL P46063 2/20 0.48
CASP6 P55212 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NSD2 O96028 1/20 0.48
APEX1 P27695 1/20 0.48
APOBEC3A P31941 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
RAPGEF4 Q8WZA2 1/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ELAVL1 Q15717 1/20 0.42
PTPN1 P18031 4/20 0.41
NT5E P21589 3/20 0.40
GPR35 Q9HC97 6/20 0.39

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
SCHEMBL8986206 0.87 ALDH1A1 (0.59) ALDH1A1TDP1KDM4EPOLBGAA
SCHEMBL9459478 0.82 NPC1 (0.50) ALDH1A1TDP1KDM4EPOLBGAA
SCHEMBL9799660 0.78 RAPGEF4 (0.44) ALDH1A1TDP1KDM4EPOLBGAA
SCHEMBL13901754 0.76 ALDH1A1 (0.47) ALDH1A1TDP1KDM4EPOLBGAA
SCHEMBL7564333 0.76 RAPGEF4 (0.51) ALDH1A1TDP1KDM4EPOLBGAA
SCHEMBL17491048 0.75 HDAC2 (0.47) ALDH1A1TDP1KDM4EPOLBGAA
SCHEMBL9342516 0.75 RAPGEF4 (0.41) ALDH1A1TDP1KDM4EPOLBGAA
SCHEMBL11781579 0.75 MAPT (0.47) ALDH1A1GAAMAPTPTPN1GPR35
SCHEMBL11340190 0.74 GPR35 (0.49) ALDH1A1TDP1KDM4EPOLBGAA
SCHEMBL10878675 0.74 GAA (0.77) ALDH1A1TDP1KDM4EPOLBGAA

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-5206426-A Phenylene diamines and process for the preparation of phenylene diamines BASF AKTIENGESELLSCHAFT (DE) 1993-04-27 US disclosed
US-5117050-A PHENYLENE DIAMINES AND PROCESS FOR THE PREPARATION OF PHENYLENE DIAMINES BASF AKTIENGESELLSCHAFT (DE) 1992-05-26 US disclosed