SCHEMBL5221924

SCHEMBL5221924

COc1ccc(-c2cc(Cl)nnc2-c2ccc3c(c2)OCCO3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.46
GSK3B P49841 2/20 0.46
LMNA P02545 3/20 0.46
TP53 P04637 2/20 0.46
ALDH1A1 P00352 5/20 0.45
HTT P42858 2/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
CLK1 P49759 1/20 0.45
MAPT P10636 6/20 0.44
HPGD P15428 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL5222119 0.82 KMT2A (0.44) LMNATP53ALDH1A1MAPTMEN1
SCHEMBL5225894 0.78 DYRK1A (0.44) LMNAALDH1A1HTTALOX12MAPT
SCHEMBL5221958 0.77 ALDH1A1 (0.51) LMNAALDH1A1HTTMAPTHPGD
SCHEMBL5226884 0.76 MAPK14 (0.50) KDM4ENPC1RAB9A
SCHEMBL5223759 0.76 HPGD (0.49) GSK3AGSK3BLMNATP53ALDH1A1
SCHEMBL5226058 0.75 MAPT (0.44) GSK3AGSK3BLMNATP53ALDH1A1
SCHEMBL2880935 0.70 ABL1 (0.43) TP53MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3335308 0.69 HSD17B1 (0.56) GSK3AGSK3BLMNATP53ALDH1A1
SCHEMBL1167596 0.69 MAPT (0.56) GSK3AGSK3BLMNATP53ALDH1A1
SCHEMBL30627606 0.69 PKM (0.54) LMNATP53ALDH1A1HTTALOX15

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