SCHEMBL1754841

SCHEMBL1754841

NCCNc1nc(NCc2ccc(C(=O)O)cc2)nc(Nc2cc(S(=O)(=O)O)ccc2S(=O)(=O)O)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 14/20 0.41
CA1 P00915 13/20 0.41
CA2 P00918 13/20 0.41
CA12 O43570 6/20 0.41
CA14 Q9ULX7 5/20 0.41
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
VCP P55072 1/20 0.39
HDAC1 Q13547 2/20 0.38
VNN1 O95497 1/20 0.36
POLB P06746 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL1754899 0.92 CA9 (0.44) CA9CA1CA2CA12CA14
SCHEMBL1754808 0.90 GBA1 (0.43) CA9CA1CA2CA12CA14
SCHEMBL15836276 0.87 CA1 (0.45) CA9CA1CA2CA12CA14
SCHEMBL13705652 0.85 KDM4E (0.40) CA9CA1CA2CA12CA14
SCHEMBL12745398 0.83 CA1 (0.42) CA9CA1CA2CA12CA14
SCHEMBL12746219 0.83 CA1 (0.46) CA9CA1CA2CA12CA14
SCHEMBL15255510 0.83 CA9 (0.42) CA9CA1CA2CA12CA14
SCHEMBL11375192 0.82 CA9 (0.50) CA9CA1CA2CA12CA14
SCHEMBL15866074 0.82 CA1 (0.44) CA9CA1CA2CA12CA14
SCHEMBL14614511 0.82 CA1 (0.41) CA9CA1CA2CA12CA14

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