SCHEMBL5226058

SCHEMBL5226058

COc1ccc(-c2cc(Oc3ccc(F)cc3F)nnc2-c2ccc3c(c2)OCCO3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
THRB P10828 1/20 0.42
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
LMNA P02545 3/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 3/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
CLK1 P49759 1/20 0.38
TERT O14746 1/20 0.37
TRPA1 O75762 2/20 0.37
MAPK14 Q16539 1/20 0.37
HPGD P15428 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 1/20 0.36
HK1 P19367 1/20 0.36
HKDC1 Q2TB90 1/20 0.36

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 0.86 TRPA1 (0.44) MAPTLMNAALDH1A1ALOX12HTT
SCHEMBL5222047 0.84 SYK (0.42) MAPTALDH1A1ALOX15ALOX12HTT
SCHEMBL5226799 0.82 SYK (0.44) MAPTTHRBLMNAALDH1A1ALOX12
SCHEMBL5223530 0.81 MAPK14 (0.46) MAPTALDH1A1ALOX12HTTTRPA1
SCHEMBL5221631 0.78 SYK (0.42) MAPTTHRBALDH1A1ALOX12HTT
SCHEMBL5221924 0.75 GSK3A (0.46) MAPTGSK3AGSK3BLMNATP53
SCHEMBL5227456 0.73 MAPT (0.40) MAPTTP53ALDH1A1ALOX12HTT
SCHEMBL5222107 0.71 PTGS1 (0.39) GSK3AGSK3BTRPA1MAPK14PTGS2
SCHEMBL5224063 0.70 SOAT1 (0.42) MAPTTHRBLMNATP53ALDH1A1
SCHEMBL5228063 0.70 KMT2A (0.40) MAPTALDH1A1ALOX12HTTCLK1

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