SCHEMBL5740342

SCHEMBL5740342

COc1ccccc1-c1cc(Nc2ccc3nc(-c4ccc(Cl)cc4)cc(N)c3c2)nc(N)n1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 15/20 0.59
HSP90AA1 P07900 2/20 0.47
HSP90AB1 P08238 1/20 0.47
TP53 P04637 2/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ACP1 P24666 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
SCHEMBL5741860 0.93 MAPT (0.52) AGPAT2HSP90AA1HSP90AB1TP53MAPT
SCHEMBL5742562 0.92 MAPT (0.53) AGPAT2HSP90AA1HSP90AB1TP53MAPT
SCHEMBL5740482 0.92 ALOX15 (0.48) AGPAT2HSP90AA1HSP90AB1TP53MAPT
SCHEMBL5743121 0.91 AGPAT2 (0.55) AGPAT2HSP90AA1HSP90AB1TP53MAPT
SCHEMBL5741580 0.89 ACP1 (0.48) AGPAT2HSP90AA1HSP90AB1TP53MAPT
SCHEMBL5742556 0.88 AGPAT2 (0.61) AGPAT2HSP90AA1HSP90AB1TP53MAPT
SCHEMBL5743347 0.87 AGPAT2 (0.57) AGPAT2TP53MAPTHPGDALOX15
SCHEMBL5742912 0.86 AGPAT2 (0.59) AGPAT2TP53MAPTACP1
SCHEMBL5742005 0.86 AGPAT2 (0.59) AGPAT2TP53MAPTACP1
SCHEMBL5741832 0.86 AGPAT2 (0.46) AGPAT2HSP90AA1HSP90AB1TP53MAPT

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