SCHEMBL6233510

SCHEMBL6233510

Nc1ccccc1Nc1cc(Nc2ccc(Cl)c(Cl)c2)c2cccc(F)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.41
MAPK13 O15264 3/20 0.41
MAPK12 P53778 3/20 0.41
MAPK11 Q15759 3/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLA1 P09884 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TYMS P04818 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
ACP1 P24666 1/20 0.37
NPY5R Q15761 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
APP P05067 1/20 0.36

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
SCHEMBL6235697 0.91 NPY5R (0.39) MAPTSMN1; SMN2POLA1MEN1KMT2A
SCHEMBL6231257 0.87 MEN1 (0.42) MAPTGAASMN1; SMN2POLA1RAB9A
SCHEMBL6233025 0.87 MAPT (0.42) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL6235120 0.86 NPY5R (0.47) MAPTSMN1; SMN2POLA1MEN1KMT2A
SCHEMBL6235953 0.84 ACP1 (0.43) MAPK14MAPTGAASMN1; SMN2ALDH1A1
SCHEMBL6233775 0.83 SLC2A1 (0.50) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL6235371 0.83 MAPT (0.42) MAPTGAASMN1; SMN2POLA1MEN1
SCHEMBL6089017 0.80 POLA1 (0.43) MAPTSMN1; SMN2POLA1MEN1KMT2A
SCHEMBL6234079 0.78 SLC2A1 (0.50) MAPTSMN1; SMN2ALDH1A1RAB9AMEN1
SCHEMBL6088154 0.78 SLC2A1 (0.40) MAPTGAASMN1; SMN2POLA1ALDH1A1

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