SCHEMBL5743347

SCHEMBL5743347

COc1ccc(-c2cc(N)c3cc(Nc4cc(-c5ccc(Cl)cc5)nc(N)n4)ccc3n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 8/20 0.57
ACP1 P24666 3/20 0.54
MAPT P10636 3/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM4E B2RXH2 1/20 0.49
AURKA O14965 1/20 0.48
AURKB Q96GD4 1/20 0.48
PLA2G2A P14555 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RAB9A P51151 2/20 0.47

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
SCHEMBL5743353 0.95 RAB9A (0.52) AGPAT2ACP1MAPTPOLBGAA
SCHEMBL5742142 0.92 MAPT (0.57) AGPAT2ACP1MAPTPOLBGAA
SCHEMBL5740501 0.91 AGPAT2 (0.52) AGPAT2ACP1MAPTPOLBGAA
SCHEMBL5743773 0.91 AGPAT2 (0.52) AGPAT2ACP1MAPTPOLBGAA
SCHEMBL5743192 0.91 AGPAT2 (0.57) AGPAT2ACP1MAPTPOLBGAA
SCHEMBL5743457 0.90 ACP1 (0.54) AGPAT2ACP1MAPTPOLBGAA
SCHEMBL5740308 0.89 AGPAT2 (0.48) AGPAT2ACP1MAPTPOLBGAA
SCHEMBL5741286 0.88 MAPT (0.53) AGPAT2ACP1MAPTPOLBGAA
SCHEMBL5741057 0.87 ACP1 (0.57) AGPAT2ACP1MAPTPOLBGAA
SCHEMBL5740342 0.87 AGPAT2 (0.59) AGPAT2ACP1MAPTTP53HPGD

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