SCHEMBL10922280

SCHEMBL10922280

COc1cc(S(=O)(=O)O)c(C)cc1N=NNc1cc(C)c(S(=O)(=O)O)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.41
BRD4 O60885 2/20 0.40
TP53 P04637 2/20 0.40
CREBBP Q92793 1/20 0.40
HTT P42858 2/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 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
SLC10A1 Q14973 1/20 0.34

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
SCHEMBL14611152 0.77 LRRK2 (0.42) BRD4HTTKMT2AMEN1ALDH1A1
SCHEMBL629603 0.74 PHLPP2 (0.38) PTPN1BRD4HTTALDH1A1ENPP2
SCHEMBL7778665 0.73 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1GAA
SCHEMBL10231835 0.71 KMT2A (0.45) BRD4HTTKMT2AMEN1ALDH1A1
SCHEMBL14453590 0.71 KMT2A (0.57) BRD4TP53CREBBPHTTKMT2A
SCHEMBL15423698 0.71 SMN1; SMN2 (0.40) HTTKMT2AMEN1ALDH1A1MAPT
SCHEMBL13744288 0.70 BRD4 (0.43) PTPN1BRD4TP53CREBBPKMT2A
SCHEMBL389605 0.69 ALDH1A1 (0.52) HTTKMT2AMEN1ALDH1A1MAPT
SCHEMBL29466718 0.69 ALDH1A1 (0.52) HTTKMT2AMEN1ALDH1A1MAPT
SCHEMBL10615326 0.69 MAPT (0.42) PTPN1BRD4TP53CREBBPKMT2A

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-4560746-A MONOAZO DYES, 2-(2-QUINOLYL)-1,3-INDANEDIONESULFONIC ACID THE HILTON-DAVIS CHEMICAL CO. (US) 1985-12-24 US disclosed