SCHEMBL1754897

SCHEMBL1754897

NCCNc1nc(NCc2ccccn2)nc(Nc2cc(S(=O)(=O)O)ccc2S(=O)(=O)O)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.38
PRMT1 Q99873 1/20 0.38
CA2 P00918 3/20 0.38
KCNH2 Q12809 2/20 0.37
CA1 P00915 2/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.35
JAK2 O60674 1/20 0.35
PTK2 Q05397 1/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL1754898 0.91 PRMT1 (0.41) PTGS2PRMT1CA2KCNH2CA1
SCHEMBL15836276 0.87 CA1 (0.45) CA2CA1CA12CA9SMN1; SMN2
SCHEMBL1754808 0.86 GBA1 (0.43) CA2CA1CA12CA9HDAC1
SCHEMBL1754899 0.83 CA9 (0.44) CA2CA1CA12CA9
SCHEMBL12745398 0.83 CA1 (0.42) CA2CA1CA12CA9SMN1; SMN2
SCHEMBL15255510 0.83 CA9 (0.42) CA2CA1CA12CA9SMN1; SMN2
SCHEMBL12746219 0.83 CA1 (0.46) CA2CA1CA12CA9POLB
SCHEMBL11375192 0.82 CA9 (0.50) CA2CA1CA12CA9
SCHEMBL15866074 0.82 CA1 (0.44) CA2CA1CA12CA9SMN1; SMN2
SCHEMBL14614511 0.82 CA1 (0.41) CA2CA1CA12CA9SMN1; SMN2

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-2441806-B1 PORPHYRAZINE COLORING MATTER, INK COMPOSITION, RECORDING METHOD, AND COLORED OBJECT NIPPON KAYAKU KK (JP) 2017-09-06 EP disclosed
US-8657433-B2 Porphyrazine coloring matter, ink composition, recording method, and colored object NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2014-02-25 US disclosed
EP-2441806-A1 PORPHYRAZINE DYE, INK COMPOSITION, RECORDING METHOD, AND COLORED OBJECT Nippon Kayaku Kabushiki Kaisha (JP) 2012-04-18 EP disclosed