SCHEMBL5221631

SCHEMBL5221631

COc1ccc(-c2cc(Oc3cc(F)ccc3F)nnc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
ALOX12 P18054 1/20 0.42
NTSR1 P30989 1/20 0.42
HTT P42858 1/20 0.42
PAX8 Q06710 1/20 0.42
TLR9 Q9NR96 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GPR84 Q9NQS5 1/20 0.38
SQOR Q9Y6N5 1/20 0.38
NFE2L2 Q16236 1/20 0.37
MAPK14 Q16539 2/20 0.37
GCGR P47871 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
SCHEMBL5223501 0.90 TRPA1 (0.44) SYKMAPTKDM4EKMT2ANPSR1
SCHEMBL5226799 0.86 SYK (0.44) SYKMAPTKDM4EKMT2ANPSR1
SCHEMBL5227456 0.85 MAPT (0.40) SYKMAPTKDM4EKMT2ANPSR1
SCHEMBL5223530 0.85 MAPK14 (0.46) SYKMAPTKDM4EKMT2ANPSR1
SCHEMBL5222047 0.83 SYK (0.42) SYKMAPTKDM4EKMT2ANPSR1
SCHEMBL5224031 0.83 CNR1 (0.38) MAPTKDM4EKMT2ANPSR1ALDH1A1
SCHEMBL5224063 0.82 SOAT1 (0.42) SYKMAPTKDM4EKMT2ANPSR1
SCHEMBL5228063 0.82 KMT2A (0.40) MAPTKDM4EKMT2ANPSR1ALDH1A1
SCHEMBL5226722 0.81 KMT2A (0.43) MAPTKDM4EKMT2ANPSR1ALDH1A1
SCHEMBL5224995 0.80 RPS6KA3 (0.37) MAPTKDM4EKMT2ANPSR1ALDH1A1

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