SCHEMBL456780

SCHEMBL456780

CCc1ccc(-c2ccccc2)cc1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
DCLRE1A Q6PJP8 1/20 0.40
DCLRE1B Q9H816 1/20 0.40
HSD17B1 P14061 1/20 0.40
HPGD P15428 2/20 0.39
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
PTGS2 P35354 1/20 0.38
MMP3 P08254 1/20 0.38
BCL2L1 Q07817 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX5 P09917 1/20 0.38
CYP1A2 P05177 1/20 0.38
MEN1 O00255 1/20 0.37
APAF1 O14727 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL30380433 0.81 DCLRE1A (0.47) BCL2SMN1; SMN2MAPTL3MBTL1DCLRE1A
SCHEMBL28992451 0.81 DCLRE1A (0.47) BCL2SMN1; SMN2MAPTL3MBTL1DCLRE1A
SCHEMBL19200643 0.80 DCLRE1B (0.51) MAPTDCLRE1ADCLRE1BHPGDESR1
SCHEMBL31570069 0.78 MAPT (0.53) BCL2SMN1; SMN2MAPTL3MBTL1DCLRE1A
SCHEMBL4888958 0.78 MAPT (0.53) BCL2SMN1; SMN2MAPTL3MBTL1DCLRE1A
SCHEMBL25047111 0.76 DCLRE1A (0.43) BCL2SMN1; SMN2MAPTL3MBTL1DCLRE1A
SCHEMBL17859649 0.76 FFAR1 (0.43) BCL2SMN1; SMN2MAPTL3MBTL1DCLRE1A
SCHEMBL455341 0.76 CRHBP (0.45) BCL2SMN1; SMN2MAPTL3MBTL1DCLRE1A
SCHEMBL4199791 0.76 ALOX5 (0.57) BCL2SMN1; SMN2MAPTL3MBTL1DCLRE1A
SCHEMBL458111 0.76 ESR2 (0.52) BCL2SMN1; SMN2MAPTL3MBTL1DCLRE1A

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