SCHEMBL5314097

SCHEMBL5314097

COc1ccc(Cn2nc(C)c(-c3ccccc3OCc3ccccc3)c(C=Cc3cccc(F)c3)c2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 2/20 0.43
ENPP2 Q13822 2/20 0.41
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RELA Q04206 1/20 0.39
NFE2L2 Q16236 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38

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
SCHEMBL5314095 1.00 LMNA (0.43) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5311122 0.94 ALDH1A1 (0.42) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5311481 0.94 ALDH1A1 (0.40) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5311126 0.94 ALDH1A1 (0.42) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5311478 0.94 ALDH1A1 (0.40) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5310873 0.92 ENPP2 (0.45) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5310878 0.92 ENPP2 (0.45) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5308501 0.90 ENPP2 (0.40) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5308502 0.90 ENPP2 (0.40) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5309498 0.90 MEN1 (0.40) LMNAALDH1A1SMN1; SMN2MEN1KMT2A

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