SCHEMBL7305438

SCHEMBL7305438

NC(=O)c1[c]c(C(N)=O)ccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.48
TSHR P16473 3/20 0.48
MAPT P10636 2/20 0.48
HSD17B10 Q99714 2/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
SARM1 Q6SZW1 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT6 Q8N6T7 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
SIRT3 Q9NTG7 1/20 0.38
SIRT5 Q9NXA8 1/20 0.38

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
SCHEMBL16752181 0.84 PARP1 (0.45) PARP1TSHRMAPTHSD17B10POLB
SCHEMBL15873490 0.84 PARP1 (0.45) PARP1TSHRMAPTHSD17B10POLB
SCHEMBL16752418 0.84 PARP1 (0.45) PARP1TSHRMAPTHSD17B10POLB
SCHEMBL16752264 0.79 PARP1 (0.37) PARP1TSHRMAPTHSD17B10POLB
SCHEMBL16752376 0.79 PARP1 (0.35) PARP1TSHRMAPTHSD17B10POLB
SCHEMBL6630368 0.79 PARP2 (0.36) PARP1TSHRMAPTHSD17B10POLB
SCHEMBL16752252 0.79 PARP1 (0.46) PARP1TSHRMAPTHSD17B10POLB
SCHEMBL28817336 0.76 CYP3A4 (0.41) PARP1TSHRMAPTHSD17B10POLB
SCHEMBL2779103 0.74 TSHR (0.48) TSHRPOLBTDP1ALDH1A1KDM4E
SCHEMBL1452098 0.72 ALDH1A1 (0.59) PARP1TSHRMAPTHSD17B10POLB

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 7 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
US-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 US disclosed
EP-0437016-B1 Lipid A analogues having immunoactivating and anti-tumour activity SANKYO CO (JP) 1996-05-01 EP disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 EP disclosed
EP-0583971-A1 Piperidine derivatives SANKYO COMPANY LIMITED (JP) 1994-02-23 EP disclosed
EP-0498680-A1 New beta-amino-alpha-hydroxycarboxylic acids and their use Sankyo Company Limited (JP) 1992-08-12 EP disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 EP disclosed