SCHEMBL2728038

SCHEMBL2728038

Cc1nc(-c2c(C)cc(-c3ncco3)cc2C(N)=O)cs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4B O94953 2/20 0.39
KDM5C P41229 2/20 0.39
KDM5B Q9UGL1 2/20 0.39
KDM4A O75164 1/20 0.39
RAB9A P51151 5/20 0.35
KDM4E B2RXH2 5/20 0.35
NPC1 O15118 3/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 2/20 0.35
PAX8 Q06710 1/20 0.34
KLF5 Q13887 1/20 0.34
POLB P06746 2/20 0.34
GAA P10253 2/20 0.34
HTT P42858 1/20 0.34
PIK3CB P42338 1/20 0.34
GLRA3 O75311 1/20 0.34
GLRB P48167 1/20 0.34
TGFBR1 P36897 2/20 0.33
STAT1 P42224 1/20 0.33

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
SCHEMBL2728043 0.87 KDM4B (0.39) KDM4BKDM5CKDM5BKDM4ARAB9A
SCHEMBL2726257 0.82 PIK3CB (0.36) RAB9ANPC1SMN1; SMN2HPGDPIK3CB
SCHEMBL2724726 0.82 PARP1 (0.39) POLBPIK3CBGLRA3GLRBMAP4K1
SCHEMBL2725903 0.78 PIK3CB (0.36) PIK3CBGLRA3GLRBTGFBR1MAP4K1
SCHEMBL3347772 0.75 GLRA3 (0.44) KDM4EPIK3CBGLRA3GLRBIL2
SCHEMBL2726265 0.74 TGFBR1 (0.38) RAB9ANPC1SMN1; SMN2HPGDPIK3CB
SCHEMBL2726893 0.73 ADORA2A (0.36) RAB9AKDM4EMAPTPOLBGAA
SCHEMBL15600919 0.72 KDM4A (0.43) KDM4BKDM5CKDM5BKDM4ARAB9A
SCHEMBL10320333 0.72 BRD4 (0.46) SMN1; SMN2PIK3CBGLRA3GLRBIL2
SCHEMBL3648919 0.71 PIK3CB (0.36) RAB9ANPC1SMN1; SMN2HPGDPIK3CB

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-2012054510-A1 OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2012-04-26 WO disclosed