SCHEMBL27488607

SCHEMBL27488607

O=c1[nH]ncc(-c2ccc(C[SH](=O)=O)cc2)c1Oc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
SCN4A P35499 1/20 0.36
MAPK14 Q16539 2/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPT P10636 4/20 0.35
THRB P10828 3/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
JAK2 O60674 1/20 0.34
RET P07949 1/20 0.34
MAP2K1 Q02750 1/20 0.34
MAP4K2 Q12851 1/20 0.34
PRMT5 O14744 1/20 0.34

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
SCHEMBL27470573 0.82 MAPK14 (0.40) PTGS2MAPK14MAPK13MAPK12MAPK11
SCHEMBL27487529 0.80 MAPT (0.40) PTGS2MAPK14MAPK13MAPK12MAPK11
SCHEMBL4183493 0.78 PTGS2 (0.59) PTGS1PTGS2
SCHEMBL27487523 0.77 NPBWR1 (0.53) PTGS1PTGS2ALDH1A1NPBWR1NPSR1
SCHEMBL27470076 0.76 PTGS2 (0.71) PTGS1PTGS2NPBWR1NPSR1
SCHEMBL15577465 0.73 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL27522828 0.72 FYN (0.39) MAPK14PRMT5WDR77
SCHEMBL27470080 0.69 MAPT (0.38) MAPK14MAPTLMNAMEN1KMT2A
SCHEMBL27587261 0.68 PTGS2 (0.47) PTGS1PTGS2MAPK14MAPTKDM4E
SCHEMBL14198825 0.67 IDO1 (0.46) LMNAKMT2A

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 2 patents. 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
CN-1277605-A Arylpyridazinones as prostaglandin endoperoxide H synthase biosynthesis inhibitors ABBOTT LAB (US) 2000-12-20 CN disclosed