SCHEMBL5310889

SCHEMBL5310889

Cc1nn(C(Cc2ccccc2)c2cnsn2)c(=O)c(CCc2cccc(F)c2)c1-c1ccccc1OCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.35
CASR P41180 4/20 0.34
MAPK14 Q16539 2/20 0.34
ALDH1A1 P00352 2/20 0.33
ALDH1A2 O94788 1/20 0.33
ALDH1A3 P47895 1/20 0.33
SGMS2 Q8NHU3 1/20 0.33
MAOA P21397 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DHODH Q02127 1/20 0.33
BRD4 O60885 2/20 0.33
GNRHR P30968 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 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
SCHEMBL5307649 0.89 CASR (0.43) CASRALDH1A1ALDH1A3
SCHEMBL5308905 0.88 GNRHR (0.35) CASRALDH1A1ALDH1A3GNRHR
SCHEMBL5314826 0.87 CASR (0.41) CASRGNRHR
SCHEMBL5310704 0.82 CASR (0.40) MAOBCASRMAPK14ALDH1A1ALDH1A2
SCHEMBL5311952 0.80 GNRHR (0.37) CASRGNRHRTP53GRIN1GRIN2B
SCHEMBL5311948 0.75 CASR (0.43) CASRALDH1A1ALDH1A3
SCHEMBL5311895 0.74 GNRHR (0.42) CASRGNRHRL3MBTL1
SCHEMBL5310887 0.74 LMNA (0.38) MAOBCASRMAPK14ALDH1A1SGMS2
SCHEMBL5308221 0.73 ALDH1A1 (0.42) MAOBCASRMAPK14ALDH1A1MEN1
SCHEMBL5313082 0.73 LMNA (0.45) MAOBCASRMAPK14ALDH1A1MEN1

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-2007044796-A2 PYRIDAZINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2007-04-19 WO disclosed