SCHEMBL5308705

SCHEMBL5308705

COc1cc(CCn2nc(C)c(-c3ccccc3OCc3ccccc3)c(/C=C/c3cccc(F)c3)c2=O)cc(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ABCB1 P08183 3/20 0.36
CASR P41180 2/20 0.35
NFE2L2 Q16236 2/20 0.35
ENPP2 Q13822 1/20 0.35
TP53 P04637 2/20 0.35
MDM2 Q00987 2/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
PPARG P37231 1/20 0.35
RELA Q04206 1/20 0.35
MAOB P27338 2/20 0.34
ABCG2 Q9UNQ0 1/20 0.34

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
SCHEMBL5308706 1.00 MEN1 (0.37) MEN1ALDH1A1LMNAHTTKMT2A
SCHEMBL5311481 0.93 ALDH1A1 (0.40) MEN1ALDH1A1LMNAHTTKMT2A
SCHEMBL5311478 0.93 ALDH1A1 (0.40) MEN1ALDH1A1LMNAHTTKMT2A
SCHEMBL5310553 0.93 MEN1 (0.40) MEN1ALDH1A1LMNAHTTKMT2A
SCHEMBL5310556 0.93 MEN1 (0.40) MEN1ALDH1A1LMNAHTTKMT2A
SCHEMBL5310510 0.91 ALDH1A1 (0.40) MEN1ALDH1A1LMNAHTTKMT2A
SCHEMBL5310508 0.91 ALDH1A1 (0.40) MEN1ALDH1A1LMNAHTTKMT2A
SCHEMBL5311122 0.90 ALDH1A1 (0.42) MEN1ALDH1A1LMNAHTTKMT2A
SCHEMBL5311126 0.90 ALDH1A1 (0.42) MEN1ALDH1A1LMNAHTTKMT2A
SCHEMBL5307926 0.89 ALDH1A1 (0.38) MEN1ALDH1A1LMNAHTTKMT2A

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