SCHEMBL6234312

SCHEMBL6234312

COc1ccc2nc(Nc3ccccc3N)cc(Nc3ccc(Cl)c(Cl)c3)c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.65
TP53 P04637 1/20 0.65
SLC2A1 P11166 1/20 0.50
POLB P06746 1/20 0.48
RAD52 P43351 1/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
THRB P10828 1/20 0.48
HTT P42858 1/20 0.48
RECQL P46063 1/20 0.48
MMP14 P50281 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PKM P14618 1/20 0.46
ACP1 P24666 2/20 0.46
MAPK14 Q16539 6/20 0.45

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
SCHEMBL6236871 0.89 SMN1; SMN2 (0.66) SMN1; SMN2TP53SLC2A1POLBRAD52
SCHEMBL6235106 0.89 SMN1; SMN2 (0.69) SMN1; SMN2TP53SLC2A1POLBRAD52
SCHEMBL6234851 0.88 SMN1; SMN2 (0.71) SMN1; SMN2TP53SLC2A1POLBRAD52
SCHEMBL6233830 0.88 SMN1; SMN2 (0.65) SMN1; SMN2TP53SLC2A1POLBRAD52
SCHEMBL6233775 0.85 SLC2A1 (0.50) SMN1; SMN2TP53SLC2A1POLBMEN1
SCHEMBL6235684 0.84 TP53 (0.43) SMN1; SMN2TP53MEN1KMT2AKDM4E
SCHEMBL6088873 0.80 SMN1; SMN2 (0.80) SMN1; SMN2TP53SLC2A1POLBRAD52
SCHEMBL6091005 0.78 SMN1; SMN2 (0.76) SMN1; SMN2TP53SLC2A1POLBRAD52
SCHEMBL6231880 0.78 THRB (0.55) SMN1; SMN2TP53POLBMEN1KMT2A
SCHEMBL6233225 0.78 POLB (0.51) SMN1; SMN2TP53SLC2A1POLBMEN1

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