SCHEMBL5764569

SCHEMBL5764569

CCC1(Cc2c(N)[nH]c(=S)[nH]c2=O)OCCO1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PRNP P04156 2/20 0.30
PPARG P37231 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
NR2E3 Q9Y5X4 1/20 0.30
NCOR2 Q9Y618 1/20 0.30

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
SCHEMBL11737794 0.70 KDM4E (0.43) ALDH1A1MEN1POLBKMT2ATDP1
SCHEMBL14123168 0.62 NPSR1 (0.47) ALDH1A1GAAMEN1POLBKMT2A
SCHEMBL5764595 0.59 DGAT1 (0.30)
SCHEMBL1018739 0.59
SCHEMBL5764671 0.58
SCHEMBL9872008 0.56 KDM4E (0.61) ALDH1A1GAAMEN1POLBKMT2A
SCHEMBL7226727 0.56
SCHEMBL5763401 0.56 GAA (0.36) GAA
SCHEMBL8611287 0.54
SCHEMBL14780191 0.54 MAOA (0.41) GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091738-B1 BICYCLIC sPLA 2 INHIBITORS LILLY CO ELI (US) 2006-12-06 EP disclosed
EP-1091738-A4 BICYCLIC sPLA 2 INHIBITORS LILLY CO ELI (US) 2003-03-05 EP disclosed
US-6384041-B1 ANTIINFLAMMATORY AGENT, TREATMENT OF SHOCK AND ENZYME INHIBITORS ELI LILLY AND COMPANY 2002-05-07 US disclosed
EP-1091738-A1 BICYCLIC sPLA 2 INHIBITORS ELI LILLY AND COMPANY (US) 2001-04-18 EP disclosed
WO-2000000201-A1 BICYCLIC sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2000-01-06 WO disclosed