SCHEMBL342924

SCHEMBL342924

Nc1cc(C(=O)O)cc2cc(C(=O)O)cc(O)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA7 P43166 3/20 0.50
CA9 Q16790 3/20 0.50
CA14 Q9ULX7 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
CA4 P22748 2/20 0.50
CA6 P23280 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
CA3 P07451 1/20 0.50
SELL P14151 1/20 0.50
HPGD P15428 1/20 0.50
SELP P16109 1/20 0.50
FUT4 P22083 1/20 0.50
DPP4 P27487 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL686591 0.85 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL29914372 0.85 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL342407 0.82 MEN1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL5735611 0.78 KMT2A (0.50) CA12CA1CA2CA7CA9
SCHEMBL4269298 0.77 CA12 (0.70) CA12CA1CA2CA7CA9
SCHEMBL3684356 0.77 CA12 (0.56) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL5737488 0.77 KMT2A (0.49) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL5734772 0.77 KMT2A (0.49) CA12CA1CA2CA7CA9
SCHEMBL342923 0.76 CA12 (0.50) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL1144809 0.75 CA12 (0.67) CA12CA1CA2CA7CA9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2420538-B1 PORPHYRAZINE DYE, INK COMPOSITION CONTAINING SAME, AND COLORED BODY NIPPON KAYAKU KK (JP) 2015-04-22 EP disclosed
CN-102395629-B Porphyrazine dye, ink composition containing same, and colored article NIPPON KAYAKU KK 2014-05-14 CN disclosed
US-8535432-B2 Porphyrazine coloring matter, ink composition containing the same and colored product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-09-17 US disclosed
CN-102395629-A Porphyrazine dye, ink composition containing same, and colored article NIPPON KAYAKU KK 2012-03-28 CN disclosed
EP-2420538-A1 PORPHYRAZINE DYE, INK COMPOSITION CONTAINING SAME, AND COLORED BODY Nippon Kayaku Kabushiki Kaisha (JP) 2012-02-22 EP disclosed
US-20120013678-A1 Porphyrazine Coloring Matter, Ink Composition Containing The Same And Colored Product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-01-19 US disclosed