SCHEMBL5310704

SCHEMBL5310704

Cc1nn(C(C)c2ccccc2)c(=O)c(CCc2cccc(F)c2)c1-c1ccccc1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASR P41180 5/20 0.40
MAOB P27338 2/20 0.40
MAPK14 Q16539 2/20 0.38
BRD4 O60885 2/20 0.37
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GNRHR P30968 1/20 0.36
SLC6A9 P48067 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36
MAOA P21397 1/20 0.36
SGMS2 Q8NHU3 1/20 0.35
ALDH1A2 O94788 1/20 0.35
ALDH1A3 P47895 1/20 0.35

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
SCHEMBL5310470 0.91 KDM4E (0.41) CASRL3MBTL1GNRHR
SCHEMBL5315640 0.91 BRD4 (0.40) MAOBMAPK14BRD4ALDH1A1L3MBTL1
SCHEMBL5313085 0.86 CASR (0.51) CASRMEN1KMT2AGNRHR
SCHEMBL5308788 0.82 MAOB (0.36) CASRMAOBMAPK14BRD4ALDH1A1
SCHEMBL5308790 0.82 MAOB (0.36) CASRMAOBMAPK14BRD4ALDH1A1
SCHEMBL5311895 0.82 GNRHR (0.42) CASRL3MBTL1GNRHR
SCHEMBL5310889 0.82 MAOB (0.35) CASRMAOBMAPK14BRD4ALDH1A1
SCHEMBL5308221 0.79 ALDH1A1 (0.42) CASRMAOBMAPK14ALDH1A1MEN1
SCHEMBL5313082 0.79 LMNA (0.45) CASRMAOBMAPK14ALDH1A1L3MBTL1
SCHEMBL5311530 0.78 GNRHR (0.49) CASRGNRHR

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