SCHEMBL28906179

SCHEMBL28906179

O=c1c(SCc2ccccc2)noc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
ATM Q13315 1/20 0.45
ELANE P08246 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 2/20 0.43
MAOB P27338 2/20 0.41
DAO P14920 1/20 0.41
CYP2C9 P11712 1/20 0.39
PDE7A Q13946 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 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
SCHEMBL29940494 1.00 MAPT (0.45) MAPTATMELANEALDH1A1HTT
SCHEMBL28906152 0.81 MEN1 (0.51) MAPTALDH1A1LMNAMAOBCYP2C9
SCHEMBL28906148 0.77 ALDH1A1 (0.46) MAPTALDH1A1HTTTDP1LMNA
SCHEMBL28906155 0.72 PRNP (0.52) MAPTELANEALDH1A1HTTTDP1
SCHEMBL29940885 0.70 EPHX2 (0.57) MAPTATMELANEALDH1A1HTT
SCHEMBL28906138 0.70 EPHX2 (0.57) MAPTATMELANEALDH1A1HTT
SCHEMBL16927398 0.67 NR4A2 (0.46) MAPTATMALDH1A1LMNACA12
SCHEMBL6439681 0.66 MAOA (0.48) MAPTALDH1A1LMNAMAOBCA12
SCHEMBL28906146 0.66 KDM4E (0.48) MAPTALDH1A1LMNAMAOBCA12
SCHEMBL29940757 0.66 KDM4E (0.48) MAPTALDH1A1LMNAMAOBCA12

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
CN-115109006-A 3-substituted-1, 2-benzoxazine-4-ketone compound and preparation method thereof 上海大学 2022-09-27 CN disclosed