SCHEMBL5740501

SCHEMBL5740501

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 5/20 0.52
AURKA O14965 1/20 0.49
AURKB Q96GD4 1/20 0.49
MAPT P10636 4/20 0.48
TP53 P04637 2/20 0.48
KMT2A Q03164 2/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ACP1 P24666 4/20 0.48
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.45
PLA2G2A P14555 1/20 0.44
RAB9A P51151 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
SCHEMBL5743773 1.00 AGPAT2 (0.52) AGPAT2AURKAAURKBMAPTTP53
SCHEMBL5741286 0.92 MAPT (0.53) AGPAT2MAPTTP53KMT2AHPGD
SCHEMBL5743347 0.91 AGPAT2 (0.57) AGPAT2AURKAAURKBMAPTTP53
SCHEMBL5742142 0.91 MAPT (0.57) AGPAT2AURKAAURKBMAPTTP53
SCHEMBL5743192 0.91 AGPAT2 (0.57) AGPAT2AURKAAURKBMAPTTP53
SCHEMBL5742888 0.90 AGPAT2 (0.64) AGPAT2AURKAAURKBMAPTTP53
SCHEMBL5742786 0.90 AGPAT2 (0.64) AGPAT2AURKAAURKBMAPTTP53
SCHEMBL5742859 0.90 AGPAT2 (0.63) AGPAT2AURKAAURKBMAPTTP53
SCHEMBL5742792 0.90 AGPAT2 (0.59) AGPAT2AURKAAURKBMAPTTP53
SCHEMBL5743353 0.90 RAB9A (0.52) AGPAT2MAPTTP53KMT2AHPGD

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