SCHEMBL17540337

SCHEMBL17540337

Cc1cc(N=Nc2cc(C)c(N=Nc3c(S(=O)(=O)O)cc4cc(NC(=O)c5ccc(N)cc5)ccc4c3O)cc2C)c(C)cc1N=Nc1ccc(O)c(OC=O)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 13/20 0.56
CD40 P25942 1/20 0.49
CD40LG P29965 1/20 0.49
CASP6 P55212 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
PRMT3 O60678 1/20 0.46
EP300 Q09472 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
PRMT1 Q99873 1/20 0.46
PHLPP2 Q6ZVD8 1/20 0.41
CA2 P00918 1/20 0.40
CA3 P07451 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
SCHEMBL17545776 0.87 ENPP2 (0.55) ENPP2CD40CD40LGCASP6CTDSP1
SCHEMBL15935779 0.86 CD40 (0.64) ENPP2CD40CD40LGCASP6CTDSP1
SCHEMBL17540335 0.86 PRMT3 (0.63) ENPP2CD40CD40LGCASP6CTDSP1
SCHEMBL12830344 0.86 CD40 (0.64) ENPP2CD40CD40LGCASP6CTDSP1
SCHEMBL19234925 0.86 CD40 (0.64) ENPP2CD40CD40LGCASP6CTDSP1
SCHEMBL19234835 0.85 ENPP2 (0.61) ENPP2CD40CD40LGCASP6CTDSP1
SCHEMBL14773570 0.85 CD40 (0.65) ENPP2CD40CD40LGCASP6CTDSP1
SCHEMBL14388145 0.85 CD40 (0.61) ENPP2CD40CD40LGCASP6CTDSP1
SCHEMBL19235075 0.85 ENPP2 (0.61) ENPP2CD40CD40LGCASP6CTDSP1
SCHEMBL13879484 0.85 ENPP2 (0.67) ENPP2CD40CD40LGCASP6CTDSP1

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-20160041322-A1 Achromatic Polarization Element, And Polarization Plate NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2016-02-11 US disclosed