SCHEMBL6233775

SCHEMBL6233775

Nc1ccccc1Nc1cc(Nc2ccc(Cl)c(Cl)c2)c2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.50
NPY5R Q15761 1/20 0.48
KDM1A O60341 1/20 0.48
MAPK14 Q16539 5/20 0.47
MAPK13 O15264 2/20 0.47
MAPK12 P53778 2/20 0.47
MAPK11 Q15759 2/20 0.47
POLA1 P09884 1/20 0.45
TYMS P04818 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ACP1 P24666 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL6235684 0.88 TP53 (0.43) NPY5RKDM1AMAPK14MAPK13MAPK12
SCHEMBL6238037 0.86 NPY5R (0.60) SLC2A1NPY5RPOLA1MEN1KMT2A
SCHEMBL6230099 0.85 L3MBTL1 (0.51) SLC2A1NPY5RPOLA1MEN1KMT2A
SCHEMBL6233063 0.85 SLC2A1 (0.71) SLC2A1NPY5RMAPK14MAPK13MAPK12
SCHEMBL6234079 0.85 SLC2A1 (0.50) SLC2A1NPY5RMEN1KMT2ANPC1
SCHEMBL6234312 0.85 SMN1; SMN2 (0.65) SLC2A1MAPK14MAPK13MAPK12MAPK11
SCHEMBL6233025 0.83 MAPT (0.42) SLC2A1NPY5RMAPK14MAPK13MAPK12
SCHEMBL6233510 0.83 MAPK14 (0.41) NPY5RMAPK14MAPK13MAPK12MAPK11
SCHEMBL6233225 0.82 POLB (0.51) SLC2A1NPY5RMAPK14MEN1KMT2A
SCHEMBL6091625 0.79 NPY5R (0.57) SLC2A1NPY5RPOLA1MEN1KMT2A

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