SCHEMBL5226799

SCHEMBL5226799

COc1ccc(-c2nnc(Oc3ccc(F)cc3F)cc2-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.44
MAPT P10636 2/20 0.42
THRB P10828 1/20 0.42
TRPA1 O75762 2/20 0.41
SOAT1 P35610 1/20 0.41
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
MAPK14 Q16539 2/20 0.40
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 0.39
NTSR1 P30989 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
PAX8 Q06710 1/20 0.39
TLR9 Q9NR96 1/20 0.39

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 0.95 TRPA1 (0.44) SYKMAPTTRPA1KDM4EALDH1A1
SCHEMBL5223530 0.90 MAPK14 (0.46) SYKMAPTTRPA1KDM4EALDH1A1
SCHEMBL5222047 0.89 SYK (0.42) SYKMAPTTRPA1KDM4EALDH1A1
SCHEMBL5224063 0.87 SOAT1 (0.42) SYKMAPTTHRBSOAT1KDM4E
SCHEMBL5221631 0.86 SYK (0.42) SYKMAPTTHRBKDM4EALDH1A1
SCHEMBL5227456 0.83 MAPT (0.40) SYKMAPTSOAT1KDM4EALDH1A1
SCHEMBL5226058 0.82 MAPT (0.44) MAPTTHRBTRPA1ALDH1A1NPSR1
SCHEMBL5223724 0.81 SOAT1 (0.44) MAPTTHRBSOAT1KDM4EALDH1A1
SCHEMBL5223322 0.80 BTK (0.50) MAPTTHRBSOAT1KDM4EALDH1A1
SCHEMBL5222107 0.79 PTGS1 (0.39) TRPA1MAPK14SLC6A4

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