SCHEMBL4752887

SCHEMBL4752887

Cc1cc([N+](=O)[O-])cnc1N1CCN(C)CC1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
SIRT6 Q8N6T7 1/20 0.49
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
LMNA P02545 1/20 0.44
TRPV1 Q8NER1 2/20 0.44
HRH4 Q9H3N8 2/20 0.43
HRH3 Q9Y5N1 1/20 0.43
WDR5 P61964 2/20 0.42
MET P08581 1/20 0.42
BRD4 O60885 1/20 0.42
OPRK1 P41145 1/20 0.41
L3MBTL1 Q9Y468 1/20 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
Hydrochloric Acid SCHEMBL4753957 0.99 ALDH1A1 (0.52) ALDH1A1MAPK1HTTSIRT6KMT2A
SCHEMBL801074 0.94 ALDH1A1 (0.59) ALDH1A1MAPK1HTTKMT2AMEN1
SCHEMBL3725533 0.88 HTT (0.68) ALDH1A1MAPK1HTTKMT2AMEN1
SCHEMBL25199087 0.88 HTT (0.64) ALDH1A1MAPK1HTTKMT2AMEN1
SCHEMBL15244547 0.87 ALDH1A1 (0.45) ALDH1A1MAPK1HTTSIRT6KMT2A
SCHEMBL907889 0.85 ALDH1A1 (0.54) ALDH1A1MAPK1HTTSIRT6KMT2A
SCHEMBL1981534 0.85 ALDH1A1 (0.74) ALDH1A1MAPK1HTTSIRT6KMT2A
SCHEMBL27910271 0.85 ALDH1A1 (0.50) ALDH1A1MAPK1HTTKMT2AMEN1
SCHEMBL25001976 0.84 ALDH1A1 (0.52) ALDH1A1MAPK1HTTSIRT6KMT2A
SCHEMBL9974755 0.84 ALDH1A1 (0.52) ALDH1A1MAPK1HTTSIRT6KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008147831-A1 ANTHRANILAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2008-12-04 WO disclosed
WO-2008147831-A1 ANTHRANILAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2008-12-04 WO disclosed