SCHEMBL2319788

SCHEMBL2319788

Cc1cc(C(=O)c2ccc([N+](=O)[O-])cc2)n[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ KMT2A Q03164 2/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ SRD5A2 P31213 1/20 0.49
▸ LMNA P02545 3/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ DAO P14920 1/20 0.47
▸ HCAR2 Q8TDS4 1/20 0.47
▸ CES1 P23141 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ TSHR P16473 1/20 0.44

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
SCHEMBL975118 0.73 SRD5A2 (0.83) MAPTALDH1A1TDP1L3MBTL1SRD5A2
SCHEMBL10723714 0.73 SRD5A2 (0.83) MAPTALDH1A1TDP1L3MBTL1SRD5A2
SCHEMBL418856 0.72 ACHE (0.72) MAPTALDH1A1TDP1L3MBTL1SRD5A2
SCHEMBL10920493 0.72 PDE4A (0.60) MAPTALDH1A1TDP1L3MBTL1SRD5A2
SCHEMBL14044077 0.70 DAO (0.50) ALDH1A1KMT2AL3MBTL1LMNAGAA
SCHEMBL10559760 0.69 ALDH1A1 (0.73) MAPTALDH1A1TDP1L3MBTL1SRD5A2
SCHEMBL4808746 0.69 PIK3C3 (0.65) MAPTKMT2AL3MBTL1MEN1HPGD
SCHEMBL1531253 0.69 PIK3C3 (0.56) MAPTALDH1A1TDP1KMT2ALMNA
Water SCHEMBL28104393 0.69 POLB (0.79) MAPTALDH1A1TDP1KMT2AL3MBTL1
SCHEMBL6746532 0.68 TDP1 (0.63) MAPTALDH1A1TDP1L3MBTL1SRD5A2

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
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