SCHEMBL6230099

SCHEMBL6230099

Oc1ccccc1Nc1cc(Nc2ccc(Cl)c(Cl)c2)c2ccccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
SLC2A1 P11166 2/20 0.50
NPY5R Q15761 1/20 0.48
GAA P10253 4/20 0.46
POLB P06746 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
RIPK2 O43353 1/20 0.43
EGFR P00533 1/20 0.43
TGFBR1 P36897 1/20 0.43
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLA1 P09884 1/20 0.42
ACP1 P24666 1/20 0.42
ABCB1 P08183 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL6235487 0.88 TP53 (0.43) L3MBTL1SLC2A1NPY5RGAAPOLB
SCHEMBL6231898 0.88 TP53 (0.43) L3MBTL1SLC2A1NPY5RGAAPOLB
SCHEMBL6238037 0.86 NPY5R (0.60) SLC2A1NPY5RPOLBMEN1KMT2A
SCHEMBL6233063 0.85 SLC2A1 (0.71) SLC2A1NPY5RGAAMEN1KMT2A
SCHEMBL6234079 0.85 SLC2A1 (0.50) SLC2A1NPY5RPOLBMEN1KMT2A
SCHEMBL6233775 0.85 SLC2A1 (0.50) SLC2A1NPY5RGAAPOLBMEN1
SCHEMBL6235222 0.83 GAA (0.47) L3MBTL1SLC2A1NPY5RGAAPOLB
SCHEMBL6231257 0.83 MEN1 (0.42) L3MBTL1SLC2A1NPY5RGAAPOLB
SCHEMBL6233225 0.82 POLB (0.51) L3MBTL1SLC2A1NPY5RPOLBMEN1
SCHEMBL6088380 0.82 NPY5R (0.54) SLC2A1NPY5RPOLBMEN1KMT2A

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
EP-1430030-B1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2005-05-18 EP disclosed