SCHEMBL569862

SCHEMBL569862

O=C(O)c1cc2cc(-c3ccccc3)ccc2c(I)c1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.69
GRIN2A Q12879 1/20 0.69
GRIN2B Q13224 1/20 0.69
GRIN2C Q14957 1/20 0.69
ACMSD Q8TDX5 4/20 0.50
HNF4A P41235 2/20 0.50
DHFR P00374 1/20 0.50
MCL1 Q07820 1/20 0.50
PTPN1 P18031 3/20 0.47
LCK P06239 1/20 0.47
AKR1C2 P52895 3/20 0.46
AKR1C1 Q04828 3/20 0.46
AKR1C4 P17516 1/20 0.46
AKR1C3 P42330 1/20 0.46
PTPN2 P17706 1/20 0.45
PTPN6 P29350 1/20 0.45
POLB P06746 1/20 0.44
GPR35 Q9HC97 1/20 0.44
DHODH Q02127 1/20 0.43
THRB P10828 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
SCHEMBL569680 0.82 POLB (0.63) GRIN2DGRIN2AGRIN2BGRIN2CPOLB
SCHEMBL569344 0.82 GRIN2D (1.00) GRIN2DGRIN2AGRIN2BGRIN2CACMSD
SCHEMBL9250480 0.81 GRIN2D (0.44) GRIN2DGRIN2AGRIN2BGRIN2CPTPN1
SCHEMBL569239 0.78 GRIN2A (0.49) GRIN2DGRIN2AGRIN2BGRIN2CMCL1
SCHEMBL569383 0.71 ACMSD (0.68) GRIN2DGRIN2AGRIN2BGRIN2CACMSD
SCHEMBL19880365 0.71 ESR1 (0.36) GRIN2DGRIN2AGRIN2BGRIN2CLCK
SCHEMBL27999624 0.70 PTPN1 (0.78) GRIN2DGRIN2AGRIN2BGRIN2CACMSD
SCHEMBL28596917 0.70 ACMSD (0.63) ACMSDHNF4ADHFRMCL1PTPN1
SCHEMBL31607059 0.70 ACMSD (0.63) GRIN2DGRIN2AGRIN2BGRIN2CACMSD
SCHEMBL1250945 0.69 ACMSD (0.68) GRIN2DGRIN2AGRIN2BGRIN2CACMSD

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