SCHEMBL5225103

SCHEMBL5225103

COc1ccc(-c2cc(S(C)(=O)=O)nnc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.48
PTGS1 P23219 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
MITF O75030 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
MAOB P27338 1/20 0.47
AGTR1 P30556 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CNR1 P21554 3/20 0.44
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GAA P10253 1/20 0.42
PAX8 Q06710 1/20 0.42
USP2 O75604 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
SCHEMBL5225742 0.81 L3MBTL1 (0.44) PTGS2PTGS1SMN1; SMN2NPC1MITF
SCHEMBL5222119 0.76 KMT2A (0.44) PTGS2SMN1; SMN2NPC1MITFMAPT
SCHEMBL5223497 0.75 SMN1; SMN2 (0.54) SMN1; SMN2MAPTL3MBTL1KDM4EALDH1A1
SCHEMBL5226722 0.74 KMT2A (0.43) PTGS2SMN1; SMN2NPC1MITFMAPT
SCHEMBL14569198 0.74 SMN1; SMN2 (0.53) PTGS2PTGS1SMN1; SMN2NPC1MITF
SCHEMBL5224164 0.73 ADORA1 (0.49) SMN1; SMN2NPC1MITFMAPTPKM
SCHEMBL5227004 0.73 NPC1 (0.62) SMN1; SMN2NPC1MITFMAPTPKM
SCHEMBL5225056 0.73 MAPK11 (0.57) PTGS2SMN1; SMN2NPC1MITFMAPT
SCHEMBL5227509 0.73 MAPT (0.55) PTGS2SMN1; SMN2NPC1MITFMAPT
SCHEMBL5221958 0.71 ALDH1A1 (0.51) SMN1; SMN2NPC1MITFMAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1300399-B1 PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2007-08-22 EP disclosed
US-6664256-B1 Interleukin- 1 beta inhibitors KOWA CO., LTD. (JP) 2003-12-16 US disclosed
EP-1300399-A1 PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME Kowa Co., Ltd. (JP) 2003-04-09 EP disclosed