SCHEMBL5798744

SCHEMBL5798744

O=C(Cc1ccc(Cl)nn1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MAPK1 P28482 2/20 0.46
GSK3B P49841 2/20 0.46
HIF1A Q16665 2/20 0.46
TRPA1 O75762 1/20 0.46
HPGD P15428 3/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP3A4 P08684 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALOX15 P16050 1/20 0.44
CES1 P23141 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GLA P06280 1/20 0.44
PTPN1 P18031 2/20 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
SCHEMBL5796130 0.82 KMT2A (0.45) ALDH1A1MAPTHPGDKDM4ETDP1
SCHEMBL6134151 0.77 NNMT (0.45) ALDH1A1RAB9ANPC1MAPTL3MBTL1
SCHEMBL6202557 0.74 VNN1 (0.51) ALDH1A1RAB9ANPC1MAPTL3MBTL1
SCHEMBL11636011 0.72 KDM4E (0.55) ALDH1A1RAB9ANPC1MAPTL3MBTL1
SCHEMBL1554856 0.71 L3MBTL1 (0.53) ALDH1A1RAB9ANPC1MAPTL3MBTL1
SCHEMBL31078157 0.71 SLC6A3 (0.49) ALDH1A1RAB9ANPC1MAPTL3MBTL1
SCHEMBL10796459 0.70 RAB9A (0.49) ALDH1A1RAB9ANPC1MAPTL3MBTL1
SCHEMBL31292392 0.70 ALDH1A1 (0.46) ALDH1A1RAB9ANPC1MAPTHPGD
SCHEMBL24760727 0.70 RAB9A (0.53) ALDH1A1RAB9ANPC1MAPTL3MBTL1
SCHEMBL6011931 0.69 RAB9A (0.75) ALDH1A1RAB9ANPC1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006038734-A1 PYRIDAZINONE DERIVATIVES CYTOKINES INHIBITORS ASTELLAS PHARMA INC. (JP) 2006-04-13 WO disclosed