SCHEMBL2728043

SCHEMBL2728043

Cc1nc(-c2cc(-c3ncco3)cc(C(N)=O)c2C)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
TGFBR1 P36897 2/20 0.37
KDM4E B2RXH2 5/20 0.37
MAPT P10636 5/20 0.37
RAB9A P51151 3/20 0.37
HPGD P15428 3/20 0.37
NPC1 O15118 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PAX8 Q06710 1/20 0.34
KLF5 Q13887 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
IL2 P60568 1/20 0.34
POLB P06746 2/20 0.34
GAA P10253 2/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL2728038 0.87 KDM4B (0.39) KDM4BKDM5CKDM5BKDM4ATGFBR1
SCHEMBL2726265 0.83 TGFBR1 (0.38) TGFBR1RAB9AHPGDNPC1SMN1; SMN2
SCHEMBL2724735 0.82 PARP1 (0.39) TGFBR1IL2PIK3CBGLRA3GLRB
SCHEMBL3347772 0.80 GLRA3 (0.44) KDM4EIL2PIK3CBGLRA3GLRB
SCHEMBL2725908 0.78 TGFBR1 (0.39) TGFBR1IL2PIK3CBGLRA3GLRB
SCHEMBL2726899 0.73 ADORA2A (0.36) TGFBR1MAPTRAB9AHPGDNPC1
SCHEMBL15600919 0.72 KDM4A (0.43) KDM4BKDM5CKDM5BKDM4AKDM4E
SCHEMBL3648919 0.71 PIK3CB (0.36) RAB9AHPGDNPC1SMN1; SMN2ALDH1A1
SCHEMBL2726257 0.71 PIK3CB (0.36) TGFBR1RAB9AHPGDNPC1SMN1; SMN2
SCHEMBL2724726 0.70 PARP1 (0.39) IL2POLBPIK3CBGLRA3GLRB

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