SCHEMBL7949818

SCHEMBL7949818

CCOC(=O)c1ccc(NC(=O)N(C)Cc2c(C)c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.51
GRIA2 P42262 2/20 0.51
GRIA3 P42263 2/20 0.51
GRIA4 P48058 2/20 0.51
ALDH1A1 P00352 8/20 0.46
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 5/20 0.43
MAPT P10636 9/20 0.43
RAB9A P51151 5/20 0.43
POLB P06746 4/20 0.43
NPC1 O15118 3/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
MAPK1 P28482 4/20 0.41
MEN1 O00255 4/20 0.41
HTT P42858 2/20 0.41
NFKB1 P19838 1/20 0.40

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
SCHEMBL7958315 0.87 GRIA1 (0.47) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL7960263 0.86 GRIA1 (0.50) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL7948153 0.81 GRIA1 (0.61) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL7964396 0.79 GRIA1 (0.46) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL7958054 0.78 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL7964505 0.77 MAPT (0.45) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL7961923 0.77 GRIA1 (0.46) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL7948364 0.77 GRIA1 (0.49) GRIA1GRIA2GRIA3GRIA4KMT2A
SCHEMBL7948349 0.77 GRIA1 (0.48) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL7948372 0.76 GRIA1 (0.51) GRIA1GRIA2GRIA3GRIA4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6172065-B1 CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY 2001-01-09 US claimed
WO-1998023599-A1 UREA AND THIOUREA DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONES AS GLUTAMATE RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-06-04 WO claimed
US-6172065-B1 CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY 2001-01-09 US disclosed
WO-1998023599-A1 UREA AND THIOUREA DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONES AS GLUTAMATE RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-06-04 WO disclosed