SCHEMBL3666835

SCHEMBL3666835

C=CCc1cccc2[c]n[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 1/20 0.33
ADRA2B P18089 3/20 0.33
ADRA2C P18825 3/20 0.33
ADRA2A P08913 2/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
AKR1B1 P15121 1/20 0.32
HTR1A P08908 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
CASP1 P29466 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL1176402 0.75 GABRA1 (0.41) GABRA1GABRB2MEN1KMT2AMAPT
SCHEMBL5957034 0.71 GABRA1 (0.41) GABRA1GABRB2MEN1KMT2AMAPT
SCHEMBL2437835 0.67 NOS1 (0.42) KMT2ALMNAGAA
SCHEMBL22482014 0.67 GABRA1 (0.47) GABRA1GABRB2MEN1KMT2AMAPT
SCHEMBL5174789 0.66 GABRA1 (0.42) GABRA1GABRB2MEN1KMT2AMAPT
SCHEMBL5824091 0.65 GABRA1 (0.58) GABRA1GABRB2MEN1KMT2AMAPT
SCHEMBL7829376 0.64 GABRA1 (0.30) GABRA1GABRB2
SCHEMBL29763626 0.64 GABRA1 (0.56) GABRA1GABRB2MEN1KMT2AMAPT
SCHEMBL173300 0.64 GABRA1 (0.56) GABRA1GABRB2MEN1KMT2AMAPT
SCHEMBL2163313 0.63 MAPT (0.40) GABRA1GABRB2MEN1KMT2AMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155753-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS Novartis Ag (CH) 2010-02-24 EP claimed
WO-2008138834-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-11-20 WO claimed