SCHEMBL13615312

SCHEMBL13615312

Cc1cc(N=Nc2c(SOOO)cc3ccc(NCCS(=O)(=O)O)cc3c2O)c(OCC(O)CO)cc1N=Nc1ccc(N=Nc2ccc3ncccc3c2)c2cc(SOOO)ccc12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.40
ENPP2 Q13822 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL13615142 0.84 ENPP2 (0.38) PTPN11ENPP2
SCHEMBL13615159 0.77 PTPN11 (0.41) PTPN11ENPP2MEN1KMT2A
SCHEMBL13615133 0.77 PTPN11 (0.41) PTPN11ENPP2MEN1KMT2A
SCHEMBL13615155 0.74 PTPN11 (0.38) PTPN11ENPP2MEN1KMT2ATDP1
SCHEMBL12568493 0.74 PTPN11 (0.38) PTPN11ENPP2MEN1KMT2A
SCHEMBL13615303 0.74 PTPN11 (0.53) PTPN11ENPP2MEN1NPC1MAPT
SCHEMBL14339496 0.74 PTPN11 (0.37) PTPN11MEN1MAPTKMT2ATDP1
SCHEMBL12568510 0.74 ENPP2 (0.34) ENPP2MEN1MAPTMAPK1KMT2A
SCHEMBL13615214 0.73 ENPP2 (0.39) PTPN11ENPP2MEN1KMT2A
SCHEMBL13615317 0.72 PTPN11 (0.44) PTPN11ENPP2

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-20090275742-A1 COLORING MATTER FOR ANISOTROPIC COLORING MATTER FILM, COMPOSITION COMPRISING SAID COLORING MATTER, ANISOTROPIC COLORING MATTER FILM, AND POLARIZING ELEMENT MITSUBISHI CHEMICAL CORPORATION (JP) 2009-11-05 US disclosed