SCHEMBL5225742

SCHEMBL5225742

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
MITF O75030 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
MAOB P27338 1/20 0.44
AGTR1 P30556 1/20 0.44
RAB9A P51151 1/20 0.44
PTGS2 P35354 3/20 0.41
PTGS1 P23219 1/20 0.41
SOAT1 P35610 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 2/20 0.38

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
SCHEMBL5225103 0.81 PTGS2 (0.48) L3MBTL1SMN1; SMN2NPC1MITFMAPT
SCHEMBL5226722 0.80 KMT2A (0.43) L3MBTL1SMN1; SMN2NPC1MITFMAPT
SCHEMBL5223322 0.75 BTK (0.50) L3MBTL1SMN1; SMN2NPC1MITFMAPT
SCHEMBL5226694 0.74 KDM4E (0.43) NPC1KDM4EKMT2A
SCHEMBL5228063 0.73 KMT2A (0.40) L3MBTL1SMN1; SMN2NPC1MITFMAPT
SCHEMBL5222128 0.73 KMT2A (0.38) L3MBTL1SMN1; SMN2NPC1MITFMAPT
SCHEMBL5224031 0.72 CNR1 (0.38) L3MBTL1SMN1; SMN2NPC1MITFMAPT
SCHEMBL5222119 0.72 KMT2A (0.44) L3MBTL1SMN1; SMN2NPC1MITFMAPT
SCHEMBL5221905 0.72 APP (0.49) L3MBTL1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL5223497 0.72 SMN1; SMN2 (0.54) L3MBTL1SMN1; SMN2MAPTKDM4EALDH1A1

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