SCHEMBL746436

SCHEMBL746436

CCCc1c(C(N)=O)cccc1-c1nnc[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.38
TYRO3 Q06418 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
PARP1 P09874 11/20 0.37
NUDT1 P36639 1/20 0.34
PPARG P37231 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
PDPK1 O15530 1/20 0.33
BCAT2 O15382 1/20 0.33
MEN1 O00255 1/20 0.32
NR1I2 O75469 1/20 0.32
LMNA P02545 1/20 0.32
CHRM2 P08172 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADRA2A P08913 1/20 0.32

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
SCHEMBL746434 0.80 PARP1 (0.37) CSNK1A1TYRO3DYRK1BPARP1KDM4E
SCHEMBL29503449 0.79 CSNK1A1 (0.58) CSNK1A1TYRO3DYRK1BPARP1NUDT1
SCHEMBL2964481 0.75 PARP1 (0.45) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5476512 0.74 BCAT2 (0.59) PARP1PPARGALDH1A1KEAP1NFE2L2
SCHEMBL370726 0.72 MYC (0.45) PARP1PPARGKDM4EALDH1A1HPGD
SCHEMBL986590 0.72 CSNK1A1 (0.47) CSNK1A1TYRO3DYRK1BPARP1NUDT1
SCHEMBL5478290 0.71 PARP1 (0.45) PARP1PPARGKDM4EALDH1A1KEAP1
SCHEMBL5482646 0.71 PPARG (0.45) PARP1PPARGKDM4EALDH1A1HPGD
SCHEMBL5481197 0.71 PARP1 (0.40) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL16463457 0.71 PARP1 (0.40) PARP1PPARGKDM4EALDH1A1HPGD

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-8138356-B2 Chemical inhibitors of inhibitors of differentiation Angiogeney, Inc. (US) 2012-03-20 US disclosed