SCHEMBL458788

SCHEMBL458788

CCc1[c]c(-c2ccccc2)n[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.36
AKT2 P31751 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CHEK1 O14757 1/20 0.35
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 2/20 0.34
HPGD P15428 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE5A O76074 1/20 0.33
PDE3B Q13370 1/20 0.33

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
SCHEMBL458885 0.82 LMNA (0.40) L3MBTL1NR1H2KDM4EALDH1A1SMN1; SMN2
SCHEMBL3627117 0.77 L3MBTL1 (0.35) BTKL3MBTL1NR1H2NR1H3KDM4E
SCHEMBL4637026 0.76 NR1H2 (0.40) L3MBTL1NR1H2NR1H3KDM4EALDH1A1
SCHEMBL1819124 0.75 HPGD (0.39) NR1H2NR1H3ALDH1A1SMN1; SMN2HPGD
SCHEMBL455592 0.75 AKT2 (0.42) BTKAKT2L3MBTL1CHEK1NR1H2
SCHEMBL2766385 0.72 BTK (0.41) BTKAKT2L3MBTL1CHEK1NR1H2
SCHEMBL577704 0.67 L3MBTL1 (0.45) BTKAKT2L3MBTL1KDM4EALDH1A1
SCHEMBL23674812 0.63 NR1H2 (0.42) NR1H2NR1H3KDM4EALDH1A1HPGD
SCHEMBL16863686 0.63 PTGS1 (0.42) L3MBTL1KDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL457221 0.63 SMN1; SMN2 (0.42) L3MBTL1NR1H2NR1H3KDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614053-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-07-17 EP disclosed
WO-2012033225-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 WO disclosed