SCHEMBL1383138

SCHEMBL1383138

Cc1cccc2c(=O)[nH]c(=O)n(C3CC3)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.40
DAO P14920 1/20 0.40
JAK2 O60674 4/20 0.39
JAK1 P23458 4/20 0.39
JAK3 P52333 4/20 0.39
HSD11B1 P28845 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TYK2 P29597 2/20 0.38
EEF2K O00418 1/20 0.38
PARP14 Q460N5 4/20 0.37
TNF P01375 1/20 0.36
LITAF Q99732 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36

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
SCHEMBL16787434 0.81 DAO (0.57) DAOJAK2JAK1JAK3HSD11B1
SCHEMBL1380290 0.77 EEF2K (0.39) PARP1JAK2JAK1JAK3HSD11B1
Hydrochloric Acid SCHEMBL7559739 0.75 TNKS (0.38) PARP1JAK2JAK1JAK3MEN1
SCHEMBL1380522 0.74 PARP1 (0.44) PARP1DAO
SCHEMBL31285881 0.74 DAO (0.51) DAOJAK2JAK3HSD11B1CHRM2
SCHEMBL7555382 0.74 JAK2 (0.40) JAK2JAK1JAK3ALDH1A1TYK2
SCHEMBL3632106 0.74 DAO (0.51) DAOJAK2JAK3HSD11B1CHRM2
Bromide SCHEMBL6247940 0.72 DAO (0.50) DAOJAK2JAK3HSD11B1CHRM2
SCHEMBL29643238 0.71 ALKBH5 (0.56) MEN1ALDH1A1MAPTKMT2A
SCHEMBL16819110 0.70 JAK2 (0.41) DAOJAK2JAK1JAK3HSD11B1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4811978-B2 2011-11-09 JP claimed
EP-1255739-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-11-13 EP disclosed
WO-2001053273-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2001-07-26 WO disclosed