SCHEMBL8873283

SCHEMBL8873283

CCCCNC=C1C(=O)Nc2cc(C)c(C)c([N+](=O)[O-])c2NC1=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 2/20 0.32
GRK5 P34947 1/20 0.31
HPGD P15428 1/20 0.31
GSK3B P49841 2/20 0.30
HCAR3 P49019 1/20 0.30

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
SCHEMBL8875246 0.85 GRIN2D (0.33) MAPTALDH1A1TDP1L3MBTL1GRIN2D
SCHEMBL8873306 0.85 TSHR (0.35) MAPTALDH1A1TDP1L3MBTL1GRIN2D
SCHEMBL8871888 0.85 KCNH2 (0.33) MAPTALDH1A1TDP1L3MBTL1GRIN2D
SCHEMBL8872369 0.79 KDM4E (0.33) MAPTALDH1A1TDP1L3MBTL1KMT2A
SCHEMBL9054681 0.75 KDM4E (0.30) HPGD
SCHEMBL8874331 0.73 CES1 (0.37) ALDH1A1TDP1HPGD
SCHEMBL8873366 0.73 TGM2 (0.36) HPGD
SCHEMBL8872071 0.71 KDM4E (0.45) MAPTALDH1A1KMT2ASMN1; SMN2GAA
SCHEMBL8872366 0.71 CSNK1G1 (0.43) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL8872883 0.70 AR (0.34) ALDH1A1HPGD

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-5597922-A Glycine receptor antagonist pharmacophore STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1997-01-28 US disclosed