SCHEMBL11243360

SCHEMBL11243360

O=C(O)Cc1c(-c2ccc(Cl)cc2)nn(-c2ccccc2)c1-c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
DRD2 P14416 1/20 0.56
PTGDR2 Q9Y5Y4 5/20 0.52
NPSR1 Q6W5P4 2/20 0.51
GAA P10253 1/20 0.51
PTGES O14684 2/20 0.50
ALOX5 P09917 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
PTGS1 P23219 3/20 0.46
PTGS2 P35354 3/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
ABCB1 P08183 1/20 0.44
TP53 P04637 2/20 0.44
KMT2A Q03164 2/20 0.44
GMNN O75496 1/20 0.44
USP2 O75604 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
SCHEMBL11699362 0.99 KDM4E (0.55) KDM4EDRD2PTGDR2NPSR1GAA
SCHEMBL11255212 0.95 PTGDR2 (0.54) KDM4EDRD2PTGDR2NPSR1GAA
Trifezolac SCHEMBL11182574 0.90 KDM4E (0.51) KDM4EDRD2PTGDR2NPSR1PTGS2
SCHEMBL11726483 0.88 KDM4E (0.57) KDM4EDRD2PTGDR2NPSR1GAA
SCHEMBL11254556 0.87 PTGDR2 (0.47) KDM4EDRD2PTGDR2PTGESALOX5
SCHEMBL11252577 0.86 CYP1A2 (0.52) KDM4EDRD2NPSR1L3MBTL1CYP1A2
SCHEMBL11730597 0.86 KDM4E (0.58) KDM4EDRD2PTGDR2NPSR1GAA
SCHEMBL11726395 0.86 KDM4E (0.55) KDM4EDRD2PTGDR2NPSR1GAA
SCHEMBL11242309 0.85 SLC2A2 (0.51) KDM4EDRD2NPSR1GAAL3MBTL1
SCHEMBL11248919 0.83 PTGDR2 (0.50) KDM4EPTGDR2NPSR1L3MBTL1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4325962-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIDYRETICS BYK-GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-04-20 US claimed
US-4146721-A ANALGESICS, ANTIINFLAMMATORY AGENTS AND ANTIPYRETICS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1979-03-27 US claimed
US-4325962-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIDYRETICS BYK-GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-04-20 US disclosed
US-4146721-A ANALGESICS, ANTIINFLAMMATORY AGENTS AND ANTIPYRETICS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1979-03-27 US disclosed