SCHEMBL9331655

SCHEMBL9331655

COc1ccc(N=Nc2ccc(N=Nc3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)c(N)cc4c3O)c3cc(S(=O)(=O)O)ccc23)c(S(=O)(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 7/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
THRB P10828 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CD40 P25942 1/20 0.47
CD40LG P29965 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HIF1A Q16665 2/20 0.46
PHLPP2 Q6ZVD8 2/20 0.46
CYP1A2 P05177 2/20 0.44
SENP3 Q9H4L4 3/20 0.44
SENP2 Q9HC62 3/20 0.44
SENP1 Q9P0U3 3/20 0.44
SUMO2 P61956 2/20 0.44
SUMO1 P63165 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
HTT P42858 1/20 0.44
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL9331643 1.00 ENPP2 (0.49) ENPP2MEN1KMT2ATHRBTDP1
SCHEMBL15127524 0.93 ENPP2 (0.53) ENPP2MEN1KMT2ATHRBTDP1
SCHEMBL20735272 0.89 PHLPP2 (0.60) ENPP2MEN1KMT2ATHRBTDP1
SCHEMBL14339183 0.86 SENP3 (0.57) ENPP2MEN1KMT2ATHRBTDP1
SCHEMBL9332206 0.86 ALDH1A1 (0.59) ENPP2MEN1KMT2ATHRBTDP1
SCHEMBL9332191 0.86 ALDH1A1 (0.59) ENPP2MEN1KMT2ATHRBTDP1
SCHEMBL20736025 0.86 CD40 (0.56) ENPP2MEN1KMT2ATHRBTDP1
SCHEMBL29635262 0.86 CD40 (0.57) ENPP2MEN1KMT2ATHRBTDP1
SCHEMBL9332175 0.86 CD40 (0.57) ENPP2MEN1KMT2ATHRBTDP1
SCHEMBL9332169 0.86 CD40 (0.57) ENPP2MEN1KMT2ATHRBTDP1

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 3 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
EP-0408195-A2 Solvent soluble dye ZENECA LIMITED (GB) 1991-01-16 EP disclosed