SCHEMBL569630

SCHEMBL569630

O=C(O)c1ccc2c(c1)cc(C1CC1)c1ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIPK2 Q9H2X6 1/20 0.52
GRIN2D O15399 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2C Q14957 1/20 0.44
PTPN1 P18031 1/20 0.44
PARP1 P09874 2/20 0.43
POLB P06746 1/20 0.42
CSNK2A1 P68400 1/20 0.42
CREBBP Q92793 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 1/20 0.41
TTR P02766 2/20 0.40
P2RY14 Q15391 1/20 0.39
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMO O15229 1/20 0.39

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
SCHEMBL29898216 0.88 GRIN2D (0.59) HIPK2GRIN2DGRIN2AGRIN2CPTPN1
SCHEMBL10080461 0.88 GRIN2D (0.59) HIPK2GRIN2DGRIN2AGRIN2CPTPN1
SCHEMBL20718401 0.82 HIPK2 (0.77) HIPK2PARP1CSNK2A1
SCHEMBL10148398 0.78 PTPN1 (0.58) HIPK2GRIN2DGRIN2AGRIN2CPTPN1
SCHEMBL28170198 0.76 PTPN1 (0.59) GRIN2DGRIN2AGRIN2CPTPN1PARP1
SCHEMBL10484311 0.75 ALDH1A1 (0.68) GRIN2DGRIN2AGRIN2CPTPN1PARP1
SCHEMBL10080474 0.74 GRIN2D (0.53) HIPK2GRIN2DGRIN2AGRIN2CPTPN1
SCHEMBL2469662 0.73 ALDH1A1 (0.70) GRIN2DGRIN2AGRIN2CPTPN1PARP1
SCHEMBL2343264 0.72 GRIN2D (0.61) GRIN2DGRIN2AGRIN2CPTPN1PARP1
SCHEMBL19177351 0.72 GRIN2D (0.61) GRIN2DGRIN2AGRIN2CPTPN1PARP1

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