SCHEMBL5740308

SCHEMBL5740308

COc1ccc(-c2cc(Nc3ccc4nc(-c5ccccc5Cl)cc(N)c4c3)nc(N)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 4/20 0.48
ACP1 P24666 9/20 0.48
MAPT P10636 3/20 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
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
AURKA O14965 1/20 0.46
AURKB Q96GD4 1/20 0.46
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.43
ACACA Q13085 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
SCHEMBL5742142 0.91 MAPT (0.57) AGPAT2ACP1MAPTTP53KMT2A
SCHEMBL5742562 0.90 MAPT (0.53) AGPAT2ACP1MAPTTP53KMT2A
SCHEMBL5742556 0.90 AGPAT2 (0.61) AGPAT2MAPTTP53AURKAAURKB
SCHEMBL5743353 0.89 RAB9A (0.52) AGPAT2ACP1MAPTTP53KMT2A
SCHEMBL5743347 0.89 AGPAT2 (0.57) AGPAT2ACP1MAPTTP53KMT2A
SCHEMBL5741921 0.88 AGPAT2 (0.51) AGPAT2ACP1MAPTTP53AURKA
SCHEMBL5740501 0.86 AGPAT2 (0.52) AGPAT2ACP1MAPTTP53KMT2A
SCHEMBL5743773 0.86 AGPAT2 (0.52) AGPAT2ACP1MAPTTP53KMT2A
SCHEMBL5740563 0.85 AGPAT2 (0.52) AGPAT2ACP1AURKAAURKB
SCHEMBL5740342 0.85 AGPAT2 (0.59) AGPAT2ACP1MAPTTP53KMT2A

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