SCHEMBL7255679

SCHEMBL7255679

OCCc1cc(-c2ccccc2)nnc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 6/20 0.50
SMARCA2 P51531 2/20 0.43
SMARCA4 P51532 2/20 0.43
PBRM1 Q86U86 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 2/20 0.37
TP53 P04637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 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
SCHEMBL1752936 0.83 CASP1 (0.46) CASP1SMARCA2SMARCA4PBRM1SMN1; SMN2
SCHEMBL7436005 0.83 CASP1 (0.46) CASP1SMARCA2SMARCA4PBRM1SMN1; SMN2
SCHEMBL1752896 0.81 CASP1 (0.44) CASP1SMARCA2SMARCA4PBRM1SMN1; SMN2
SCHEMBL581419 0.79 CASP1 (0.53) CASP1SMARCA2SMARCA4PBRM1SMN1; SMN2
SCHEMBL1752842 0.78 CASP1 (0.47) CASP1SMARCA2SMARCA4PBRM1SMN1; SMN2
SCHEMBL1752831 0.76 SMARCA2 (0.59) CASP1SMARCA2SMARCA4PBRM1SMN1; SMN2
SCHEMBL1752940 0.75 CASP1 (0.45) CASP1SMARCA2SMARCA4PBRM1SMN1; SMN2
SCHEMBL1752930 0.74 MEN1 (0.44) CASP1SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL1752910 0.73 CASP1 (0.43) CASP1SMARCA2SMARCA4PBRM1SMN1; SMN2
SCHEMBL530338 0.73 CASP1 (0.57) CASP1SMARCA2SMARCA4PBRM1SMN1; SMN2

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-2003080616-A1 PYRAZOLOPYRIDAZINE DERIVATIVES, PROCESS FOR PREPARATION AND USE FOR THE INHIBITION OF GSK-3 GLAXO GROUP LIMITED (GB) 2003-10-02 WO disclosed