SCHEMBL10080474

SCHEMBL10080474

O=C(O)c1ccc2c(c1)cc(Br)c1ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.53
GRIN2A Q12879 1/20 0.53
GRIN2C Q14957 1/20 0.53
ALDH1A1 P00352 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
PTPN1 P18031 1/20 0.49
PARP1 P09874 2/20 0.47
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
CSNK2A1 P68400 3/20 0.46
HPGD P15428 2/20 0.45
MAPT P10636 1/20 0.45
TTR P02766 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL6345911 0.88 GRIN2D (0.59) GRIN2DGRIN2AGRIN2CALDH1A1CYP1A2
SCHEMBL10081747 0.88 GRIN2D (0.68) GRIN2DGRIN2AGRIN2CALDH1A1CYP1A2
SCHEMBL28170198 0.81 PTPN1 (0.59) GRIN2DGRIN2AGRIN2CALDH1A1CYP2C9
SCHEMBL15439625 0.80 GRIN2D (0.67) GRIN2DGRIN2AGRIN2CALDH1A1CYP1A2
SCHEMBL10484184 0.80 GRIN2D (0.67) GRIN2DGRIN2AGRIN2CALDH1A1CYP1A2
SCHEMBL10484311 0.80 ALDH1A1 (0.68) GRIN2DGRIN2AGRIN2CALDH1A1CYP1A2
SCHEMBL31742339 0.80 GRIN2D (0.67) GRIN2DGRIN2AGRIN2CALDH1A1CYP1A2
SCHEMBL30771554 0.80 HIPK2 (0.57) PARP1CSNK2A1HIPK2
SCHEMBL20718400 0.80 HIPK2 (0.57) PARP1CSNK2A1HIPK2
SCHEMBL28432123 0.79 HIPK2 (0.56) PARP1CSNK2A1HIPK2

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
WO-2012019106-A2 POSITIVE AND NEGATIVE MODULATORS OF NMDA RECEPTORS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2012-02-09 WO disclosed