SCHEMBL9793418

SCHEMBL9793418

Cc1cc(C)c(N)c([N+](=O)[O-])c1C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 6/20 0.43
TDP1 Q9NUW8 5/20 0.43
CYP3A4 P08684 4/20 0.42
RECQL P46063 2/20 0.41
POLB P06746 2/20 0.41
PKM P14618 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
APEX1 P27695 1/20 0.41
BLM P54132 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
SCHEMBL10623111 0.86 ALDH1A1 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8773007 0.86 ALDH1A1 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11140774 0.84 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5203798 0.84 CYP1A2 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5202894 0.84 CYP1A2 (0.52) MEN1KMT2AALDH1A1TDP1CYP3A4
SCHEMBL3606399 0.83 ALDH1A1 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11187680 0.82 ALDH1A1 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL203748 0.82 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2581020 0.80 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7973698 0.80 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-5039806-A Antisecretory and antiulcer agents AB HASSLE (SE) 1991-08-13 US disclosed