SCHEMBL27488238

SCHEMBL27488238

O=c1c(-c2ccc(Cl)s2)c(-c2ccc(C[SH](=O)=O)cc2)cnn1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.49
PTGS1 P23219 6/20 0.49
NPBWR1 P48145 2/20 0.38
PKM P14618 3/20 0.37
PKLR P30613 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HTT P42858 4/20 0.36
NPSR1 Q6W5P4 3/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
PPARG P37231 2/20 0.36
NCOA2 Q15596 2/20 0.36
NCOA1 Q15788 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
MITF O75030 1/20 0.36

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
SCHEMBL27489267 0.84 PTGS2 (0.59) PTGS2PTGS1NPBWR1ALDH1A1HTT
SCHEMBL27488604 0.84 PTGS2 (0.49) PTGS2PTGS1NPBWR1PKMALDH1A1
SCHEMBL4182057 0.83 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL27486813 0.81 PTGS2 (0.53) PTGS2PTGS1ALDH1A1HTTNPSR1
SCHEMBL27469590 0.81 PTGS2 (0.58) PTGS2PTGS1PKMHTTNPSR1
SCHEMBL27471090 0.79 PTGS2 (0.51) PTGS2PTGS1NPBWR1PKMHTT
SCHEMBL27472456 0.78 PTGS2 (0.55) PTGS2PTGS1NPBWR1PKMALDH1A1
SCHEMBL27489275 0.76 PTGS2 (0.51) PTGS2PTGS1PKMHTTNPSR1
SCHEMBL27472459 0.75 PTGS2 (0.54) PTGS2PTGS1NPBWR1
SCHEMBL27487168 0.75 PTGS2 (0.47) PTGS2PTGS1NPBWR1ALDH1A1HTT

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
CN-1167687-C Arylpyridazinones as prostaglandin endoperoxide H synthase biosynthesis inhibitors ���Ͽع����޹�˾ 2004-09-22 CN disclosed