SCHEMBL5313301

SCHEMBL5313301

COc1ccc(Cn2nc(C)c(-c3ccccc3O)c(CCc3cccc(F)c3)c2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASR P41180 9/20 0.49
MAPT P10636 3/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.37
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37

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
SCHEMBL5315681 0.93 CASR (0.49) CASRGAAPOLB
SCHEMBL5307948 0.93 CASR (0.49) CASRGAAPOLBAURKAAURKB
SCHEMBL5312353 0.92 CASR (0.54) CASRGAAPOLB
SCHEMBL5310910 0.91 CASR (0.52) CASRMEN1KMT2ASMN1; SMN2POLB
SCHEMBL5309465 0.90 CASR (0.47) CASRMAPTGAAKMT2ASMN1; SMN2
SCHEMBL5309931 0.88 CASR (0.47) CASRGAAPOLB
SCHEMBL14542007 0.88 MAPT (0.43) CASRMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL5310310 0.88 CASR (0.50) CASRMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5310323 0.87 CASR (0.52) CASRMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5310639 0.87 CASR (0.48) CASRCYP1A2CYP3A4CYP2D6CYP2C9

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 3 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 claimed
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