SCHEMBL3728487

SCHEMBL3728487

COC(=O)c1cc[c]c(N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 4/20 0.51
MAPT P10636 4/20 0.51
HPGD P15428 3/20 0.51
HSD17B10 Q99714 2/20 0.51
GAA P10253 2/20 0.51
GLA P06280 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
ATM Q13315 1/20 0.51
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA12 O43570 3/20 0.47
CA7 P43166 3/20 0.47
CA9 Q16790 3/20 0.47
CA14 Q9ULX7 3/20 0.47
XDH P47989 2/20 0.47
LOXL2 Q9Y4K0 2/20 0.45
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL1100872 0.79 CA1 (0.48) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL7165180 0.79 CA1 (0.53) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL128693 0.79 CA1 (0.48) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL422919 0.78 CA1 (0.47) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL871977 0.78 CA1 (0.47) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL3964444 0.78 CA1 (0.47) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL4286215 0.78 CA1 (0.47) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL27571975 0.77 LOXL2 (0.53) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL11028485 0.76 CA1 (0.46) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL4628388 0.76 KDM4E (0.50) KDM4EALDH1A1MAPTHPGDHSD17B10

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0031708-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES THEREFOR ICI PHARMA (FR) 1984-06-13 EP claimed
EP-0031708-A2 Cephalosporin derivatives, processes for their manufacture, pharmaceutical compositions containing them and intermediates therefor ICI PHARMA (FR) 1981-07-08 EP claimed
CN-117980307-A Substituted tricyclic compounds as PARP inhibitors and application thereof 上海瑛派药业有限公司 2024-05-03 CN disclosed
CN-117263934-A Preparation method of 5H-benzo [ c ] [1,6] naphthyridine-6-ketone derivative 上海凌凯医药科技有限公司 2023-12-22 CN disclosed
CN-105492444-A Tricyclic pyridine-carboxamide derivatives as ROCK inhibitors BRISTOL MYERS SQUIBB CO 2016-04-13 CN disclosed
CN-103446718-B Golf and its manufacture method DUNLOP SPORTS CO., LTD. (JP) 2016-01-20 CN disclosed
CN-102526997-B Golf ball DUNLOP SPORTS CO LTD 2015-04-15 CN disclosed
CN-102526995-B Golf ball SRI SPORTS LTD 2015-04-15 CN disclosed
CN-102485294-B Golf ball DUNLOP SPORTS CO., LTD. (JP) 2014-10-15 CN disclosed
CN-103857681-A Novel macrocycles as factor XIA inhibitors BRISTOL MYERS SQUIBB CO 2014-06-11 CN disclosed
CN-103446718-A Golf ball and method for manufacturing the same DUNLOP SPORTS CO LTD 2013-12-18 CN disclosed
EP-1251129-A1 PYRIMIDINE DERIVATIVES HAVING ANTITUMOR EFFECT SHIONOGI & CO., LTD. (JP) 2002-10-23 EP disclosed
US-6420367-B1 RAS GENE SHIONOGO & CO., LTD. (JP) 2002-07-16 US disclosed
CN-1317003-A Pyrimidine derivatives having antitumor activity SHIONOGI & CO (JP) 2001-10-10 CN disclosed
EP-1097933-A1 PYRIMIDINE DERIVATIVES EXHIBITING ANTITUMOR ACTIVITY SHIONOGI & CO., LTD. (JP) 2001-05-09 EP disclosed
EP-0291234-B1 Peptidic human leukocyte elastase (HLE) inhibitors ZENECA INC (US) 1994-03-23 EP disclosed
EP-0291234-A2 Peptidic human leukocyte elastase (HLE) inhibitors ZENECA INC. (US) 1988-11-17 EP disclosed
US-4463173-A ANTIBIOTIC, BACTERICIDE ICI PHARMA (FR) 1984-07-31 US disclosed
EP-0031708-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES THEREFOR ICI PHARMA (FR) 1984-06-13 EP disclosed
EP-0031708-A2 Cephalosporin derivatives, processes for their manufacture, pharmaceutical compositions containing them and intermediates therefor ICI PHARMA (FR) 1981-07-08 EP disclosed