SCHEMBL5223501

SCHEMBL5223501

COc1ccc(-c2cc(Oc3ccc(F)cc3F)nnc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.44
SYK P43405 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 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
KMT2A Q03164 1/20 0.42
PAX8 Q06710 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TLR9 Q9NR96 1/20 0.42
MAPK14 Q16539 3/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
SQOR Q9Y6N5 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
SCHEMBL5226799 0.95 SYK (0.44) TRPA1SYKMAPTKDM4EALDH1A1
SCHEMBL5223530 0.94 MAPK14 (0.46) TRPA1SYKMAPTKDM4EALDH1A1
SCHEMBL5222047 0.93 SYK (0.42) TRPA1SYKMAPTKDM4EALDH1A1
SCHEMBL5221631 0.90 SYK (0.42) SYKMAPTKDM4EALDH1A1POLB
SCHEMBL5226058 0.86 MAPT (0.44) TRPA1MAPTALDH1A1GAAALOX12
SCHEMBL5227456 0.85 MAPT (0.40) SYKMAPTKDM4EALDH1A1POLB
SCHEMBL5222107 0.83 PTGS1 (0.39) TRPA1MAPK14GCGR
SCHEMBL5224063 0.82 SOAT1 (0.42) SYKMAPTKDM4EALDH1A1POLB
SCHEMBL5228063 0.82 KMT2A (0.40) MAPTKDM4EALDH1A1POLBGAA
SCHEMBL5226722 0.81 KMT2A (0.43) MAPTKDM4EALDH1A1KMT2ANPSR1

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