SCHEMBL5310639

SCHEMBL5310639

COc1ccccc1Cn1nc(C)c(-c2ccccc2O)c(CCc2cccc(F)c2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASR P41180 10/20 0.48
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.40
GNRHR P30968 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.38
CHRNE Q04844 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
RORC P51449 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
SCHEMBL5310145 0.89 CASR (0.51) CASRPKM
SCHEMBL5309465 0.89 CASR (0.47) CASRKMT2AGAA
SCHEMBL5309931 0.89 CASR (0.47) CASRGNRHRGAA
SCHEMBL5308608 0.88 CHRM1 (0.41) CASRMEN1KMT2AGNRHRCYP1A2
SCHEMBL5309986 0.88 CASR (0.49) CASR
SCHEMBL5309926 0.88 CASR (0.49) CASRMEN1KMT2AGAA
SCHEMBL5312353 0.87 CASR (0.54) CASRGAA
SCHEMBL5313301 0.87 CASR (0.49) CASRMEN1KMT2ACYP1A2CYP3A4
SCHEMBL5307948 0.87 CASR (0.49) CASRPKMNPSR1GAA
SCHEMBL5315681 0.87 CASR (0.49) CASRPKMGAA

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