SCHEMBL27487529

SCHEMBL27487529

O=c1[nH]ncc(-c2ccc(C[SH](=O)=O)cc2)c1Cc1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
MAPK14 Q16539 2/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
SIRT5 Q9NXA8 1/20 0.38
RET P07949 2/20 0.37
KDR P35968 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
JAK2 O60674 1/20 0.36
MAP2K1 Q02750 1/20 0.36
MAP4K2 Q12851 1/20 0.36
TGFBR1 P36897 2/20 0.35

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 0.85 MAPK14 (0.40) MAPTMAPK14MAPK13MAPK12MAPK11
SCHEMBL27488607 0.80 PTGS1 (0.41) MAPTMAPK14MAPK13MAPK12MAPK11
SCHEMBL27488957 0.76 SMN1; SMN2 (0.40) MAPK14LMNAALDH1A1HPGDRXFP1
SCHEMBL27522828 0.75 FYN (0.39) MAPK14AKT2
SCHEMBL27488242 0.74 PTGS2 (0.49) MAPTLMNAALDH1A1HPGDKDM4E
SCHEMBL27471546 0.72 SMN1; SMN2 (0.45) MAPTMAPK14LMNAALDH1A1HPGD
SCHEMBL27470080 0.72 MAPT (0.38) MAPTMAPK14LMNAALDH1A1MEN1
SCHEMBL27587261 0.70 PTGS2 (0.47) MAPTMAPK14LMNAALDH1A1HPGD
SCHEMBL14198825 0.69 IDO1 (0.46) LMNAKMT2A
SCHEMBL15577532 0.68 PIK3CA (0.55) MAPK14MAPK13MAPK12MAPK11RET

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