SCHEMBL5741286

SCHEMBL5741286

COc1ccc(-c2cc(Nc3ccc4nc(-c5cccc(OC)c5)cc(N)c4c3)nc(N)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
HPGD P15428 6/20 0.53
KMT2A Q03164 6/20 0.53
HTT P42858 3/20 0.53
TP53 P04637 2/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ABCB1 P08183 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
AGPAT2 O15120 1/20 0.47
SMN1; SMN2 Q16637 6/20 0.46
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 4/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 2/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL5742142 0.94 MAPT (0.57) MAPTHPGDKMT2AHTTTP53
SCHEMBL5743192 0.93 AGPAT2 (0.57) MAPTHPGDKMT2AHTTTP53
SCHEMBL5743353 0.93 RAB9A (0.52) MAPTHPGDKMT2AHTTTP53
SCHEMBL5740501 0.92 AGPAT2 (0.52) MAPTHPGDKMT2AHTTTP53
SCHEMBL5743423 0.92 MAPT (0.48) MAPTHPGDKMT2AHTTTP53
SCHEMBL5743773 0.92 AGPAT2 (0.52) MAPTHPGDKMT2AHTTTP53
SCHEMBL5741066 0.91 ACP1 (0.51) MAPTHPGDKMT2AHTTTP53
SCHEMBL5741121 0.90 ABCG2 (0.47) MAPTHPGDKMT2AHTTTP53
SCHEMBL5742375 0.90 MAPT (0.51) MAPTHPGDKMT2AHTTTP53
SCHEMBL5740955 0.89 ACP1 (0.51) MAPTHPGDKMT2AHTTTP53

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-1339706-B1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2006-04-19 EP disclosed