SCHEMBL4409457

SCHEMBL4409457

O=C1Nc2ccc(C(=O)O)cc2C1=NNc1cccc(C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
POLB P06746 3/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
HSP90AA1 P07900 1/20 0.60
VCP P55072 1/20 0.60
TLK2 Q86UE8 3/20 0.44
PDPK1 O15530 1/20 0.44
JAK3 P52333 1/20 0.44
GSK3B P49841 4/20 0.43
RAB9A P51151 7/20 0.43
NPC1 O15118 6/20 0.43
GAA P10253 4/20 0.43
KDM4E B2RXH2 3/20 0.43
NOX1 Q9Y5S8 1/20 0.43
MCL1 Q07820 1/20 0.43
KDR P35968 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL4409453 1.00 MAPT (0.60) MAPTL3MBTL1POLBMEN1KMT2A
SCHEMBL4895008 0.92 KMT2A (0.52) MAPTL3MBTL1POLBMEN1KMT2A
SCHEMBL4895014 0.92 KMT2A (0.52) MAPTL3MBTL1POLBMEN1KMT2A
SCHEMBL4408999 0.90 MEN1 (0.67) MAPTL3MBTL1POLBMEN1KMT2A
SCHEMBL4408992 0.90 MEN1 (0.67) MAPTL3MBTL1POLBMEN1KMT2A
SCHEMBL14111968 0.89 MAPT (0.49) MAPTL3MBTL1POLBMEN1KMT2A
SCHEMBL14111963 0.89 POLB (0.48) MAPTL3MBTL1POLBMEN1KMT2A
SCHEMBL4412400 0.84 PTPN6 (0.46) MAPTL3MBTL1POLBMEN1KMT2A
SCHEMBL4412396 0.84 PTPN6 (0.46) MAPTL3MBTL1POLBMEN1KMT2A
SCHEMBL4897722 0.83 POLB (0.47) MAPTL3MBTL1POLBMEN1KMT2A

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
WO-2009135000-A2 INHIBITION OF SHP2/PTPN11 PROTEIN TYROSINE PHOSPHATASE BY NSC-117199 AND ANALOGS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2009-11-05 WO disclosed