SCHEMBL9332191

SCHEMBL9332191

Cc1cc(S(=O)(=O)O)ccc1/N=N/c1ccc(/N=N/c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(N)cc3c2O)c2cc(S(=O)(=O)O)ccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
HIF1A Q16665 2/20 0.59
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HTT P42858 1/20 0.56
SENP3 Q9H4L4 3/20 0.56
SENP2 Q9HC62 3/20 0.56
SENP1 Q9P0U3 3/20 0.56
SUMO2 P61956 2/20 0.56
SUMO1 P63165 2/20 0.56
SENP7 Q9BQF6 2/20 0.56
ENPP2 Q13822 8/20 0.54
THRB P10828 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
PHLPP2 Q6ZVD8 2/20 0.51
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CD40 P25942 1/20 0.46

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
SCHEMBL9332206 1.00 ALDH1A1 (0.59) ALDH1A1HIF1AMEN1KMT2AHTT
SCHEMBL13629442 0.92 ALDH1A1 (0.53) ALDH1A1HIF1AMEN1KMT2AHTT
SCHEMBL13629309 0.91 ALDH1A1 (0.52) ALDH1A1HIF1AMEN1KMT2AHTT
SCHEMBL14339183 0.91 SENP3 (0.57) ALDH1A1HIF1AMEN1KMT2AHTT
SCHEMBL9332335 0.91 ENPP2 (0.53) ALDH1A1HIF1AMEN1KMT2AHTT
SCHEMBL9332347 0.91 ENPP2 (0.53) ALDH1A1HIF1AMEN1KMT2AHTT
SCHEMBL15127525 0.90 ALDH1A1 (0.55) ALDH1A1HIF1AMEN1KMT2AHTT
SCHEMBL9332175 0.90 CD40 (0.57) ALDH1A1HIF1AMEN1KMT2ASENP3
SCHEMBL29635262 0.90 CD40 (0.57) ALDH1A1HIF1AMEN1KMT2ASENP3
SCHEMBL9332169 0.90 CD40 (0.57) ALDH1A1HIF1AMEN1KMT2ASENP3

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-0408195-B1 Solvent soluble dye ZENECA LTD (GB) 1994-04-27 EP disclosed
US-5055566-A AMINE SALTS OF DISAZO BLACK DYES HAVING GOOD SOLUBILITY IN POLAR ORGANIC SOLVENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-08 US disclosed