SCHEMBL2292726

SCHEMBL2292726

C[C@](CC(=O)O)(Nc1ccc([N+](=O)[O-])cc1N)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.54
KMT2A Q03164 6/20 0.54
MEN1 O00255 5/20 0.54
GFER P55789 2/20 0.54
RECQL P46063 1/20 0.48
DUSP3 P51452 1/20 0.48
PTPN5 P54829 1/20 0.48
PTPN11 Q06124 1/20 0.48
GAA P10253 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ATM Q13315 1/20 0.46
CYP3A4 P08684 3/20 0.43
ALDH1A1 P00352 2/20 0.43
ALOX15 P16050 1/20 0.43
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL2294061 0.87 MAPT (0.49) MAPTKMT2AMEN1GFERGAA
SCHEMBL29452975 0.73 MAPT (0.55) MAPTKMT2AMEN1GFERRECQL
SCHEMBL123429 0.73 MAPT (0.55) MAPTKMT2AMEN1GFERRECQL
SCHEMBL6582107 0.71 MAPT (1.00) MAPTKMT2AMEN1GFERRECQL
SCHEMBL2605855 0.70 MAPT (0.66) MAPTKMT2AMEN1GFERRECQL
SCHEMBL20986073 0.70 MAPT (0.51) MAPTKMT2AMEN1GFERRECQL
SCHEMBL7355209 0.70 MAPT (0.54) MAPTKMT2AMEN1GFERRECQL
SCHEMBL5244966 0.69 MAPT (0.53) MAPTKMT2AMEN1GFERRECQL
SCHEMBL5244954 0.69 MAPT (0.53) MAPTKMT2AMEN1GFERRECQL
SCHEMBL6354542 0.69 MAPT (0.56) MAPTKMT2AMEN1GFERRECQL

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-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed