SCHEMBL27489264

SCHEMBL27489264

O=c1c(-c2ccc(F)cc2)c(-c2ccc(C[SH](=O)=O)cc2)cnn1-c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.42
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
RAB9A P51151 4/20 0.41
LMNA P02545 3/20 0.40
NPC1 O15118 2/20 0.40
PTGS1 P23219 10/20 0.40
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
KMT2A Q03164 1/20 0.38
RELA Q04206 1/20 0.38
HTT P42858 2/20 0.38
USP7 Q93009 1/20 0.37
MCL1 Q07820 1/20 0.37

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
SCHEMBL27489270 0.89 PTGS2 (0.42) PTGS2ALDH1A1SMN1; SMN2RAB9ALMNA
SCHEMBL27487893 0.89 CYP1A2 (0.47) PTGS2SMN1; SMN2RAB9APTGS1HTT
SCHEMBL27487526 0.89 CYP1A2 (0.47) PTGS2SMN1; SMN2RAB9APTGS1HTT
SCHEMBL27488603 0.89 PTGS2 (0.42) PTGS2ALDH1A1SMN1; SMN2RAB9ALMNA
SCHEMBL27469593 0.89 PTGS2 (0.55) PTGS2ALDH1A1L3MBTL1SMN1; SMN2RAB9A
SCHEMBL27475808 0.87 PTGS2 (0.42) PTGS2ALDH1A1SMN1; SMN2RAB9ALMNA
SCHEMBL27489265 0.86 PGR (0.46) PTGS2ALDH1A1L3MBTL1SMN1; SMN2PTGS1
SCHEMBL27489268 0.86 PTGS2 (0.43) PTGS2ALDH1A1L3MBTL1SMN1; SMN2RAB9A
SCHEMBL27487525 0.85 SRC (0.46) PTGS2ALDH1A1RAB9ALMNANPC1
SCHEMBL27549345 0.85 PTGS2 (0.43) PTGS2ALDH1A1SMN1; SMN2RAB9ALMNA

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