SCHEMBL17545771

SCHEMBL17545771

Nc1ccc(C(=O)Nc2ccc3c(O)c(N=Nc4ccc(N=Nc5ccc(N=Nc6ccc(S(=O)(=O)O)cc6)cc5)cc4)c(S(=O)(=O)O)cc3c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CD40 P25942 1/20 0.67
CD40LG P29965 1/20 0.67
ENPP2 Q13822 14/20 0.64
CASP6 P55212 1/20 0.62
CTDSP1 Q9GZU7 1/20 0.62
PRMT3 O60678 1/20 0.58
EP300 Q09472 1/20 0.58
PRMT6 Q96LA8 1/20 0.58
PRMT1 Q99873 1/20 0.58
CA2 P00918 1/20 0.52
CA3 P07451 1/20 0.52

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
SCHEMBL17545727 1.00 CD40 (0.67) CD40CD40LGENPP2CASP6CTDSP1
SCHEMBL19234925 0.93 CD40 (0.64) CD40CD40LGENPP2CASP6CTDSP1
SCHEMBL12830344 0.93 CD40 (0.64) CD40CD40LGENPP2CASP6CTDSP1
SCHEMBL15935779 0.93 CD40 (0.64) CD40CD40LGENPP2CASP6CTDSP1
SCHEMBL19234923 0.93 CD40 (0.71) CD40CD40LGENPP2CASP6CTDSP1
SCHEMBL17540334 0.92 PRMT3 (0.68) CD40CD40LGENPP2CASP6CTDSP1
SCHEMBL19234816 0.92 PRMT3 (0.60) CD40CD40LGENPP2CASP6CTDSP1
SCHEMBL19234836 0.92 ENPP2 (0.61) CD40CD40LGENPP2CASP6CTDSP1
SCHEMBL19234922 0.91 CD40 (0.67) CD40CD40LGENPP2CASP6CTDSP1
SCHEMBL27100618 0.91 PRMT1 (0.67) CD40CD40LGENPP2CASP6CTDSP1

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
US-10209418-B2 Achromatic polarization element, and polarization plate NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2019-02-19 US disclosed
US-20160041322-A1 Achromatic Polarization Element, And Polarization Plate NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2016-02-11 US disclosed