SCHEMBL2323095

SCHEMBL2323095

O=[C]c1ccc(-c2ccc([N+](=O)[O-])cc2)o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.53
NQO2 P16083 1/20 0.47
KMT2A Q03164 10/20 0.46
MEN1 O00255 9/20 0.46
ALDH1A1 P00352 6/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 3/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
KDM4E B2RXH2 1/20 0.44
BRAF P15056 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 2/20 0.43
TNKS O95271 1/20 0.43
PARP1 P09874 1/20 0.43
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43

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
SCHEMBL11486200 0.85 MAPT (0.51) MAPTNQO2KMT2AMEN1ALDH1A1
SCHEMBL3361349 0.83 MAPT (0.64) MAPTNQO2KMT2AMEN1ALDH1A1
SCHEMBL2323398 0.81 MAPT (0.61) MAPTNQO2KMT2AMEN1ALDH1A1
SCHEMBL27632460 0.77 MAPT (0.57) MAPTNQO2KMT2AMEN1ALDH1A1
SCHEMBL29273189 0.77 KMT2A (0.60) MAPTNQO2KMT2AMEN1ALDH1A1
SCHEMBL6734270 0.75 MAPT (0.55) MAPTNQO2KMT2AMEN1ALDH1A1
SCHEMBL2615714 0.75 MAPT (0.55) MAPTNQO2KMT2AMEN1ALDH1A1
SCHEMBL19926009 0.75 MAPT (0.55) MAPTNQO2KMT2AMEN1ALDH1A1
SCHEMBL2322085 0.74 ALDH1A1 (0.44) MAPTKMT2AMEN1ALDH1A1NPC1
SCHEMBL2318469 0.74 ALDH1A1 (0.44) MAPTNQO2KMT2AMEN1ALDH1A1

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-2011094890-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2011-08-11 WO disclosed