SCHEMBL6236871

SCHEMBL6236871

COc1ccc2nc(Nc3ccccc3OC)cc(Nc3ccc(Cl)c(Cl)c3)c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.66
TP53 P04637 2/20 0.66
PTPN11 Q06124 1/20 0.59
SLC2A1 P11166 1/20 0.51
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
NPC1 O15118 2/20 0.50
POLB P06746 2/20 0.49
RAD52 P43351 1/20 0.49
PKM P14618 1/20 0.47
ACP1 P24666 2/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
NFKB1 P19838 1/20 0.46
GFER P55789 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
TSHR P16473 2/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.43

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
SCHEMBL6235106 0.90 SMN1; SMN2 (0.69) SMN1; SMN2TP53PTPN11SLC2A1MEN1
SCHEMBL6233225 0.89 POLB (0.51) SMN1; SMN2TP53SLC2A1MEN1KMT2A
SCHEMBL6234851 0.89 SMN1; SMN2 (0.71) SMN1; SMN2TP53PTPN11SLC2A1MEN1
SCHEMBL6233830 0.89 SMN1; SMN2 (0.65) SMN1; SMN2TP53PTPN11SLC2A1MEN1
SCHEMBL6231880 0.89 THRB (0.55) SMN1; SMN2TP53PTPN11MEN1KMT2A
SCHEMBL6234312 0.89 SMN1; SMN2 (0.65) SMN1; SMN2TP53PTPN11SLC2A1MEN1
SCHEMBL6088873 0.81 SMN1; SMN2 (0.80) SMN1; SMN2TP53PTPN11SLC2A1MEN1
SCHEMBL6091005 0.79 SMN1; SMN2 (0.76) SMN1; SMN2TP53PTPN11SLC2A1MEN1
SCHEMBL6232210 0.78 MAPT (0.45) SMN1; SMN2TP53MEN1KMT2ANPC1
SCHEMBL6235953 0.78 ACP1 (0.43) SMN1; SMN2TP53MEN1KMT2ANPC1

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