SCHEMBL9018997

SCHEMBL9018997

NC(=O)c1ccc(C(N)=O)c(C(N)=O)c1Cc1c(C(N)=O)ccc(C(N)=O)c1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 4/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 3/20 0.37
KDM4E B2RXH2 2/20 0.37
TSHR P16473 2/20 0.37
HPGD P15428 1/20 0.37
DGAT1 O75907 1/20 0.35
MEN1 O00255 3/20 0.34
MAPK1 P28482 2/20 0.34
METAP2 P50579 1/20 0.34
BCAT2 O15382 1/20 0.33
LMNA P02545 2/20 0.33
XBP1 P17861 1/20 0.33
ADRA2A P08913 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C19 P33261 2/20 0.32
NNMT P40261 1/20 0.32
ERN1 O75460 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
SCHEMBL9432675 0.80 ALDH1A1 (0.46) KMT2AATMMAPTALDH1A1HSD17B10
SCHEMBL34465393 0.80 ALDH1A1 (0.46) KMT2AATMMAPTALDH1A1HSD17B10
SCHEMBL28927012 0.77 GABRP (0.41) KMT2AMAPTALDH1A1HSD17B10HPGD
SCHEMBL8580446 0.76 KDM4E (0.50) MAPTALDH1A1HSD17B10KDM4ETSHR
SCHEMBL2161703 0.75 PARP1 (0.36) KMT2AMAPTALDH1A1HSD17B10KDM4E
SCHEMBL5316536 0.73 BCAT2 (0.41) KMT2AATMMAPTALDH1A1HSD17B10
SCHEMBL11901445 0.73 PLA2G2A (0.46) KMT2AMAPTALDH1A1HSD17B10TSHR
SCHEMBL7844303 0.72 MAPK8 (0.40) ALDH1A1DGAT1LMNAPARP1
SCHEMBL1018547 0.71 PARP1 (0.42) KMT2AATMMAPTALDH1A1HSD17B10
SCHEMBL17836871 0.71 ERN1 (0.47) KMT2AATMMAPTALDH1A1HSD17B10

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
EP-0437016-B1 Lipid A analogues having immunoactivating and anti-tumour activity SANKYO CO (JP) 1996-05-01 EP disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 EP disclosed