SCHEMBL455218

SCHEMBL455218

CCCc1ccc(-c2ccccc2)cc1CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCLRE1A Q6PJP8 1/20 0.42
DCLRE1B Q9H816 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
BCL2 P10415 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MCL1 Q07820 1/20 0.39
HSD17B1 P14061 2/20 0.39
PPARG P37231 2/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
TNKS2 Q9H2K2 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
SCHEMBL29068251 0.92 SMN1; SMN2 (0.42) DCLRE1ADCLRE1BSMN1; SMN2HPGDL3MBTL1
SCHEMBL28992451 0.88 DCLRE1A (0.47) DCLRE1ADCLRE1BSMN1; SMN2HPGDL3MBTL1
SCHEMBL30380433 0.88 DCLRE1A (0.47) DCLRE1ADCLRE1BSMN1; SMN2HPGDL3MBTL1
SCHEMBL455471 0.81 MAPT (0.40) SMN1; SMN2HPGDL3MBTL1MAPTKDM4E
SCHEMBL10798309 0.81 SMN1; SMN2 (0.40) DCLRE1ADCLRE1BSMN1; SMN2HPGDL3MBTL1
SCHEMBL5595171 0.81 SMN1; SMN2 (0.40) SMN1; SMN2HPGDL3MBTL1MAPTKDM4E
SCHEMBL456713 0.81 ESR2 (0.50) SMN1; SMN2HPGDL3MBTL1MAPTKDM4E
SCHEMBL7090979 0.80 MGLL (0.40) DCLRE1ADCLRE1BSMN1; SMN2HPGDL3MBTL1
SCHEMBL458899 0.79 RARB (0.41) SMN1; SMN2HPGDL3MBTL1MAPTKDM4E
SCHEMBL1023623 0.79 ALOX5 (0.58) HPGDMAPTKDM4ECYP1A2ALDH1A1

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