SCHEMBL455838

SCHEMBL455838

CCc1cc(-c2ccccc2)ccc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCLRE1A Q6PJP8 1/20 0.43
DCLRE1B Q9H816 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
BCL2 P10415 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.41
APAF1 O14727 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
XBP1 P17861 1/20 0.41
PTBP1 P26599 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
GALK1 P51570 1/20 0.41
BLM P54132 1/20 0.41
SMAD3 P84022 1/20 0.41

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
SCHEMBL31453996 0.90 L3MBTL1 (0.43) DCLRE1ADCLRE1BALDH1A1BCL2SMN1; SMN2
SCHEMBL455341 0.84 CRHBP (0.45) DCLRE1ADCLRE1BALDH1A1MAPK1BCL2
SCHEMBL3027303 0.82 ALOX5 (0.39) ALDH1A1SMN1; SMN2MEN1LMNAKMT2A
SCHEMBL8540746 0.82 ALDH1A1 (0.44) DCLRE1ADCLRE1BALDH1A1MAPK1SMN1; SMN2
SCHEMBL20696572 0.82 ALDH1A1 (0.44) DCLRE1ADCLRE1BALDH1A1MAPK1SMN1; SMN2
SCHEMBL30380433 0.81 DCLRE1A (0.47) DCLRE1ADCLRE1BALDH1A1BCL2SMN1; SMN2
SCHEMBL28992451 0.81 DCLRE1A (0.47) DCLRE1ADCLRE1BALDH1A1BCL2SMN1; SMN2
SCHEMBL18076562 0.80 BACE1 (0.46) DCLRE1ADCLRE1BALDH1A1MAPK1SMN1; SMN2
SCHEMBL7617883 0.79 GABRA1 (0.54) DCLRE1ADCLRE1BALDH1A1MAPK1BCL2
SCHEMBL9618333 0.78 SMN1; SMN2 (0.47) DCLRE1ADCLRE1BBCL2SMN1; SMN2L3MBTL1

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