SCHEMBL2323398

SCHEMBL2323398

O=[C]c1ccc(-c2cccc([N+](=O)[O-])c2)o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
ALDH1A1 P00352 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
KDM4E B2RXH2 1/20 0.54
GAA P10253 1/20 0.54
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
KMT2A Q03164 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 3/20 0.50
GABRP O00591 2/20 0.50
GABRD O14764 2/20 0.50
GABRA1 P14867 2/20 0.50
GABRB1 P18505 2/20 0.50
GABRG2 P18507 2/20 0.50
GABRB3 P28472 2/20 0.50
GABRA5 P31644 2/20 0.50
GABRA3 P34903 2/20 0.50
GABRA2 P47869 2/20 0.50
GABRB2 P47870 2/20 0.50

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
SCHEMBL2323095 0.81 MAPT (0.53) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL6732581 0.78 MAPT (0.64) MAPTALDH1A1L3MBTL1KDM4EGAA
SCHEMBL6732583 0.78 MAPT (0.64) MAPTALDH1A1L3MBTL1KDM4EGAA
SCHEMBL1960867 0.76 MAPT (1.00) MAPTALDH1A1L3MBTL1KDM4EGAA
SCHEMBL13080111 0.76 MAPT (0.61) MAPTALDH1A1L3MBTL1KDM4EGAA
SCHEMBL2029810 0.75 MAPT (0.71) MAPTALDH1A1L3MBTL1KDM4EGAA
SCHEMBL13051335 0.75 MAPT (0.59) MAPTALDH1A1L3MBTL1KDM4EGAA
SCHEMBL2324206 0.74 SLC9A1 (0.48) MAPTALDH1A1KDM4EGAANPC1
SCHEMBL6738366 0.74 TSHR (0.76) MAPTALDH1A1GAANPC1RAB9A
SCHEMBL3325892 0.74 MAPT (0.70) MAPTALDH1A1L3MBTL1KDM4EGAA

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 3 patents. 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
EP-1697335-A1 FURANCARBONYLGUANIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-09-06 EP disclosed
WO-2005063727-A1 FURANCARBONYLGUANIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2005-07-14 WO disclosed