SCHEMBL5222047

SCHEMBL5222047

COc1ccc(-c2cc(Oc3ccc(F)cc3F)nnc2-c2ccc(OC)c(OC)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.42
MAPT P10636 4/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
ALOX12 P18054 1/20 0.41
NTSR1 P30989 1/20 0.41
HTT P42858 1/20 0.41
PAX8 Q06710 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TRPA1 O75762 4/20 0.41
DYRK1A Q13627 1/20 0.40
MAPK14 Q16539 1/20 0.39
AHR P35869 1/20 0.38
KIT P10721 2/20 0.38
SLC10A2 Q12908 1/20 0.38
MEN1 O00255 1/20 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
SCHEMBL5223501 0.93 TRPA1 (0.44) SYKMAPTKMT2ANPSR1KDM4E
SCHEMBL5226799 0.89 SYK (0.44) SYKMAPTKMT2ANPSR1KDM4E
SCHEMBL5223530 0.88 MAPK14 (0.46) SYKMAPTKMT2ANPSR1KDM4E
SCHEMBL5226058 0.84 MAPT (0.44) MAPTKMT2ANPSR1ALDH1A1GAA
SCHEMBL5221631 0.83 SYK (0.42) SYKMAPTKMT2ANPSR1KDM4E
SCHEMBL5227456 0.79 MAPT (0.40) SYKMAPTKMT2ANPSR1KDM4E
SCHEMBL5222107 0.77 PTGS1 (0.39) TRPA1MAPK14PTGS2
SCHEMBL5224063 0.76 SOAT1 (0.42) SYKMAPTKMT2ANPSR1KDM4E
SCHEMBL5228063 0.75 KMT2A (0.40) MAPTKMT2ANPSR1KDM4EALDH1A1
SCHEMBL5224031 0.74 CNR1 (0.38) MAPTKMT2ANPSR1KDM4EALDH1A1

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