SCHEMBL6233225

SCHEMBL6233225

COc1ccccc1Nc1cc(Nc2ccc(Cl)c(Cl)c2)c2ccccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
TP53 P04637 3/20 0.50
SLC2A1 P11166 1/20 0.50
ACP1 P24666 2/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 1/20 0.48
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 5/20 0.47
ABCG2 Q9UNQ0 2/20 0.46
ABCB1 P08183 1/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPY5R Q15761 1/20 0.46
MAPK8 P45983 1/20 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) POLBSMN1; SMN2TP53SLC2A1ACP1
SCHEMBL6231880 0.88 THRB (0.55) POLBSMN1; SMN2TP53ACP1MEN1
SCHEMBL6233063 0.85 SLC2A1 (0.71) SMN1; SMN2TP53SLC2A1ACP1MEN1
SCHEMBL6235953 0.84 ACP1 (0.43) POLBSMN1; SMN2TP53ACP1MEN1
SCHEMBL6232210 0.84 MAPT (0.45) POLBSMN1; SMN2TP53ACP1MEN1
SCHEMBL6238037 0.83 NPY5R (0.60) POLBSMN1; SMN2TP53SLC2A1ACP1
SCHEMBL6230099 0.82 L3MBTL1 (0.51) POLBSMN1; SMN2TP53SLC2A1ACP1
SCHEMBL6234079 0.82 SLC2A1 (0.50) POLBSMN1; SMN2TP53SLC2A1ACP1
SCHEMBL6233775 0.82 SLC2A1 (0.50) POLBSMN1; SMN2TP53SLC2A1ACP1
SCHEMBL6235106 0.78 SMN1; SMN2 (0.69) POLBSMN1; SMN2TP53SLC2A1ACP1

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