SCHEMBL5313863

SCHEMBL5313863

Cc1nn(Cc2ccccn2)c(=O)c(/C=C/c2cccc(F)c2)c1-c1ccccc1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NR3C2 P08235 1/20 0.38
P2RX7 Q99572 1/20 0.37
SGMS2 Q8NHU3 1/20 0.37
MAPK14 Q16539 3/20 0.37
PTGER1 P34995 1/20 0.36
SYK P43405 2/20 0.36
MAOB P27338 1/20 0.36
DHODH Q02127 2/20 0.35
ENPP2 Q13822 1/20 0.35
BRD4 O60885 1/20 0.35
PPARG P37231 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
SCHEMBL5313872 1.00 MEN1 (0.40) MEN1ALDH1A1LMNAHTTKMT2A
SCHEMBL5312364 0.89 ALDH1A1 (0.40) MEN1ALDH1A1LMNAHTTKMT2A
SCHEMBL5312366 0.89 ALDH1A1 (0.40) MEN1ALDH1A1LMNAHTTKMT2A
SCHEMBL5310556 0.88 MEN1 (0.40) MEN1ALDH1A1LMNAHTTKMT2A
SCHEMBL5310553 0.88 MEN1 (0.40) MEN1ALDH1A1LMNAHTTKMT2A
SCHEMBL5309494 0.88 MEN1 (0.40) MEN1ALDH1A1LMNAHTTKMT2A
SCHEMBL5309498 0.88 MEN1 (0.40) MEN1ALDH1A1LMNAHTTKMT2A
SCHEMBL5311481 0.87 ALDH1A1 (0.40) MEN1ALDH1A1LMNAHTTKMT2A
SCHEMBL5314097 0.87 LMNA (0.43) MEN1ALDH1A1LMNAHTTKMT2A
SCHEMBL5314095 0.87 LMNA (0.43) 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