SCHEMBL11119702

SCHEMBL11119702

Nc1ccc(/N=N/c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(/N=N/c4ccc(N)cc4)c(O)c3c2N)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 8/20 0.60
THRB P10828 2/20 0.55
CYP1A2 P05177 3/20 0.50
PHLPP2 Q6ZVD8 1/20 0.50
PRMT1 Q99873 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.47
SUMO2 P61956 1/20 0.46
SUMO1 P63165 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP2 Q9HC62 1/20 0.46
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPK1 P28482 1/20 0.44
DNASE1L3 Q13609 1/20 0.44
ALDH1A1 P00352 1/20 0.40
APP P05067 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL8761659 1.00 ENPP2 (0.60) ENPP2THRBCYP1A2PHLPP2PRMT1
SCHEMBL9234257 0.91 ENPP2 (0.70) ENPP2THRBCYP1A2PHLPP2PRMT1
SCHEMBL9234263 0.91 ENPP2 (0.70) ENPP2THRBCYP1A2PHLPP2PRMT1
SCHEMBL10887721 0.90 ENPP2 (0.69) ENPP2THRBCYP1A2PHLPP2PRMT1
SCHEMBL12631994 0.90 ENPP2 (0.69) ENPP2THRBCYP1A2PHLPP2PRMT1
SCHEMBL10887734 0.90 ENPP2 (0.69) ENPP2THRBCYP1A2PHLPP2PRMT1
SCHEMBL17676441 0.90 ENPP2 (0.58) ENPP2THRBCYP1A2PHLPP2PRMT1
SCHEMBL17751330 0.89 ENPP2 (0.61) ENPP2THRBCYP1A2PHLPP2PRMT1
SCHEMBL12466830 0.89 ENPP2 (0.61) ENPP2THRBCYP1A2PHLPP2PRMT1
SCHEMBL29501271 0.88 ENPP2 (0.60) ENPP2THRBCYP1A2PHLPP2PRMT1

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-0049338-B1 INK FOR USE IN INK JET PRINTING International Business Machines Corporation (US) 1984-11-21 EP disclosed
EP-0049338-A1 Ink for use in ink jet printing International Business Machines Corporation (US) 1982-04-14 EP disclosed
US-4286989-A Formulations for ink jet printing INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1981-09-01 US disclosed