SCHEMBL5225376

SCHEMBL5225376

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.51
PTGS2 P35354 1/20 0.51
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
BACE1 P56817 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGES O14684 1/20 0.38
HPGD P15428 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
TSPO P30536 1/20 0.38
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
GAA P10253 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 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
SCHEMBL5223978 0.86 GAA (0.50) PTGS2KDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL5227512 0.79 KMT2A (0.48) PTGS2KDM4ETP53RAB9ABACE1
SCHEMBL5225056 0.73 MAPK11 (0.57) PTGS2KDM4EALDH1A1RAB9AHSD17B10
SCHEMBL6315377 0.72 MALT1 (0.44) ALOX5PTGS2ALDH1A1KMT2A
SCHEMBL5223497 0.72 SMN1; SMN2 (0.54) KDM4EALDH1A1BACE1SMN1; SMN2HPGD
SCHEMBL7756777 0.72 OPRD1 (0.52) ALOX5PTGS2KDM4EALDH1A1TP53
SCHEMBL5223691 0.71 ALDH1A1 (0.46) PTGS2KDM4EALDH1A1TP53RAB9A
SCHEMBL6308862 0.69 ALOX5 (0.51) ALOX5PTGS2ALDH1A1KMT2A
SCHEMBL9520508 0.68 ALOX5 (0.83) ALOX5PTGS2
SCHEMBL7761536 0.68 OPRD1 (0.48) ALOX5PTGS2KDM4EALDH1A1TP53

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