SCHEMBL11538580

SCHEMBL11538580

O=C(O)Cc1cnn(-c2ccc(Cl)cc2)c1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
LMNA P02545 2/20 0.48
DRD2 P14416 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PTGS1 P23219 4/20 0.46
PTGS2 P35354 4/20 0.46
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ABCB1 P08183 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HSD11B1 P28845 1/20 0.41
MALT1 Q9UDY8 1/20 0.41

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
SCHEMBL11259925 0.95 KDM4E (0.54) KDM4ELMNADRD2NPSR1PTGS1
SCHEMBL11247004 0.94 PTGS2 (0.47) KDM4ELMNADRD2NPSR1PTGS1
SCHEMBL3495616 0.90 ALDH1A1 (0.53) KDM4ELMNANPSR1PTGS1PTGS2
SCHEMBL11399825 0.85 LMNA (0.53) KDM4ELMNADRD2NPSR1PTGS1
SCHEMBL11390332 0.82 ALDH1A1 (0.51) KDM4ELMNANPSR1PTGS1PTGS2
SCHEMBL11400405 0.77 MEN1 (0.52) KDM4ELMNANPSR1PTGS1PTGS2
SCHEMBL4833579 0.76 ALDH1A1 (0.51) KDM4ELMNANPSR1PTGS1PTGS2
SCHEMBL11403987 0.76 LMNA (0.54) KDM4ELMNANPSR1PTGS1PTGS2
SCHEMBL9788262 0.76 LMNA (0.48) KDM4ELMNANPSR1PTGS1PTGS2
SCHEMBL5907346 0.75 MEN1 (0.44) KDM4ELMNANPSR1PTGS1PTGS2

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

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