SCHEMBL11087802

SCHEMBL11087802

CCOC(=O)c1nc2c3cc([N+](=O)[O-])ccc3n(C)c(=O)n2n1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
ELANE P08246 4/20 0.52
ADORA3 P0DMS8 5/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
F2 P00734 3/20 0.49
PLAU P00749 3/20 0.49
CTRB1 P17538 3/20 0.49
PKM P14618 1/20 0.47
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL11087008 0.85 ADORA3 (0.57) ELANEADORA3LMNA
SCHEMBL11172556 0.85 MAPT (0.50) MAPTELANEF2PLAUCTRB1
SCHEMBL11082791 0.83 ADORA3 (0.61) ADORA3L3MBTL1LMNA
SCHEMBL11083828 0.82 ADORA3 (0.52) ADORA3
SCHEMBL11087927 0.81 ADORA3 (0.67) ELANEADORA3F2PLAU
SCHEMBL11089403 0.81 ADORA3 (0.55) ADORA3
SCHEMBL11087090 0.80 ADORA3 (0.52) ADORA3HTTL3MBTL1
SCHEMBL11079707 0.78 ADORA3 (0.52) MAPTADORA3LMNA
SCHEMBL11086256 0.78 ADORA3 (0.49) ELANEADORA3LMNA
SCHEMBL11083590 0.75 ADORA3 (0.51) ADORA3

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-4463007-A ANTIALLERGENS BASF AKTIENGESELLSCHAFT (DE) 1984-07-31 US disclosed