SCHEMBL9750433

SCHEMBL9750433

COc1cc(N)c(S(=O)(=O)O)cc1N=Nc1cc(Cl)c(S(=O)(=O)CCOS(=O)(=O)O)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.34
CYP3A4 P08684 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
APEX1 P27695 1/20 0.34
MAPK1 P28482 1/20 0.34
BRCA1 P38398 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC10A1 Q14973 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ENPP2 Q13822 1/20 0.34
BRD4 O60885 1/20 0.33

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
SCHEMBL9750126 0.88 BRD4 (0.41) TP53CYP3A4KDM4EMEN1ALDH1A1
SCHEMBL7716407 0.82 MEN1 (0.38) TP53CYP3A4KDM4EMEN1ALDH1A1
SCHEMBL9750092 0.81 SENP2 (0.40) MEN1ALDH1A1MAPTTHRBHPGD
SCHEMBL7712999 0.80 THRB (0.44) TP53CYP3A4KDM4EMEN1ALDH1A1
SCHEMBL7717688 0.78 MEN1 (0.44) TP53CYP3A4KDM4EMEN1ALDH1A1
SCHEMBL9682404 0.78 GAA (0.45) CYP3A4KDM4EALDH1A1POLBCYP1A2
SCHEMBL9749734 0.76 THRB (0.43) MEN1ALDH1A1MAPTTHRBHPGD
SCHEMBL13744288 0.75 BRD4 (0.43) TP53CYP3A4KDM4EMEN1ALDH1A1
SCHEMBL9750152 0.75 LMNA (0.31) MAPTHSD17B10TSHR
SCHEMBL9750018 0.73 BRD4 (0.40) TP53CYP3A4KDM4EMEN1ALDH1A1

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-5093484-A Water soluble; colorfast shades on cotton BAYER AKTIENGESELLSCHAFT (DE) 1992-03-03 US disclosed