SCHEMBL7689517

SCHEMBL7689517

CNCn1nc(-c2ccc3c(c2)OCCO3)c2cc3c(cc2c1=O)OCO3

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
HTT P42858 2/20 0.51
MERTK Q12866 1/20 0.44
RAB9A P51151 7/20 0.40
MAPK9 P45984 1/20 0.40
MAPK14 Q16539 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 5/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 3/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
RIPK2 O43353 1/20 0.38
CHEK1 O14757 1/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37

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
SCHEMBL3524028 0.83 BRD9 (0.48) SMN1; SMN2HTTMERTKRAB9AMAPK9
SCHEMBL13548372 0.81 ALDH1A1 (0.52) SMN1; SMN2HTTMERTKRAB9AMAPK9
SCHEMBL3527781 0.79 HTT (0.46) SMN1; SMN2HTTMERTKRAB9AMAPK9
SCHEMBL3524171 0.76 ALDH1A1 (0.47) SMN1; SMN2HTTMAPK9MAPK14KDM4E
SCHEMBL3523275 0.76 KCNH2 (0.47) SMN1; SMN2HTTRAB9AMAPK9MAPK14
SCHEMBL3522769 0.74 ALDH1A1 (0.58) SMN1; SMN2HTTRAB9AKDM4EMAPT
SCHEMBL3524981 0.73 ALDH1A1 (0.48) SMN1; SMN2HTTMERTKMAPK9MAPK14
SCHEMBL7002658 0.72 KDM4E (0.46) SMN1; SMN2HTTMERTKMAPK9MAPK14
SCHEMBL7359530 0.68 PDE4A (0.48) SMN1; SMN2HTTRAB9AKDM4ENPC1
SCHEMBL7364301 0.68 HTT (0.47) SMN1; SMN2HTTMERTKRAB9AMAPK9

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-6465472-B1 SUCH AS 1-(2-DIETHYLAMINOETHYL)-6,7-METHYLENEDIOXY-4-(3,4-METHYLENE -DIOXYPHENYL)QUINAZOLIN-2(1H)-ONE; AMPA IONOTROPIC RECEPTOR ANTAGONISTS; ANTICONVULSANTS, COGNITIVE ENHANCERS, PREVENTION OF NEURODEGENERATION EURO-CELTIQUE S.A. (LU) 2002-10-15 US disclosed