SCHEMBL5309494

SCHEMBL5309494

COc1ccccc1Cn1nc(C)c(-c2ccccc2OCc2ccccc2)c(/C=C/c2cccc(F)c2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ENPP2 Q13822 2/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
PKM P14618 1/20 0.37
PTGER1 P34995 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
BCHE P06276 1/20 0.36
PABPC1 P11940 1/20 0.36
MAPK14 Q16539 1/20 0.35
MAOB P27338 1/20 0.35
NFE2L2 Q16236 2/20 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
SCHEMBL5309498 1.00 MEN1 (0.40) MEN1KMT2AENPP2LMNAALDH1A1
SCHEMBL5310878 0.91 ENPP2 (0.45) MEN1KMT2AENPP2LMNAALDH1A1
SCHEMBL5308501 0.91 ENPP2 (0.40) MEN1KMT2AENPP2LMNAALDH1A1
SCHEMBL5310873 0.91 ENPP2 (0.45) MEN1KMT2AENPP2LMNAALDH1A1
SCHEMBL5308502 0.91 ENPP2 (0.40) MEN1KMT2AENPP2LMNAALDH1A1
SCHEMBL5311481 0.90 ALDH1A1 (0.40) MEN1KMT2AENPP2LMNAALDH1A1
SCHEMBL5311478 0.90 ALDH1A1 (0.40) MEN1KMT2AENPP2LMNAALDH1A1
SCHEMBL5314095 0.90 LMNA (0.43) MEN1KMT2AENPP2LMNAALDH1A1
SCHEMBL5314097 0.90 LMNA (0.43) MEN1KMT2AENPP2LMNAALDH1A1
SCHEMBL5311126 0.90 ALDH1A1 (0.42) MEN1KMT2AENPP2LMNAALDH1A1

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