SCHEMBL8580446

SCHEMBL8580446

NC(=O)c1cccc(C(N)=O)c1Cc1c(C(N)=O)cccc1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
METAP2 P50579 1/20 0.46
GAA P10253 1/20 0.45
BCAT2 O15382 1/20 0.45
PARP1 P09874 6/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
PDPK1 O15530 1/20 0.44
AURKA O14965 2/20 0.41
PLK4 O00444 1/20 0.41
CHEK1 O14757 1/20 0.41
DAPK3 O43293 1/20 0.41
MAP4K4 O95819 1/20 0.41
CSF1R P07333 1/20 0.41
RET P07949 1/20 0.41

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
SCHEMBL10923208 0.83 BCAT2 (0.48) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL45719 0.81 PARP1 (0.51) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL8576862 0.81 KDM4E (0.46) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL29392318 0.80 CYP17A1 (0.51) MAPTTSHRGAAPARP1PLK4
SCHEMBL27892889 0.80 AURKA (0.46) KDM4EALDH1A1HPGDHSD17B10PARP1
SCHEMBL27913154 0.80 MAPK8 (0.43) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL27895663 0.80 RPS6KB1 (0.46) KDM4EALDH1A1PARP1AURKANPC1
SCHEMBL27800518 0.79 SIRT1 (0.47) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL11599894 0.79 PARP1 (0.41) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL72113 0.78 PARP1 (0.49) KDM4EALDH1A1MAPTHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5792840-A SUBSTITUTED GLUCOPYRANOSYL PHOSPHATES SANKYO COMPANY, LIMITED (JP) 1998-08-11 US disclosed
EP-0437016-B1 Lipid A analogues having immunoactivating and anti-tumour activity SANKYO CO (JP) 1996-05-01 EP disclosed