SCHEMBL5743353

SCHEMBL5743353

COc1ccc(-c2cc(Nc3ccc4nc(-c5ccc(OC)cc5)cc(N)c4c3)nc(N)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.52
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.52
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
DYRK1A Q13627 1/20 0.50
ACP1 P24666 6/20 0.47
AGPAT2 O15120 1/20 0.47
MEN1 O00255 1/20 0.46
DHFR P00374 2/20 0.46
DOT1L Q8TEK3 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 0.97 MAPT (0.57) RAB9AMAPTKMT2ATP53HPGD
SCHEMBL5743347 0.95 AGPAT2 (0.57) RAB9AMAPTKMT2ATP53HPGD
SCHEMBL5743457 0.95 ACP1 (0.54) RAB9AMAPTKMT2ATP53HPGD
SCHEMBL5741286 0.93 MAPT (0.53) RAB9AMAPTKMT2ATP53HPGD
SCHEMBL5741057 0.92 ACP1 (0.57) RAB9AMAPTKMT2ATP53HPGD
SCHEMBL5740501 0.90 AGPAT2 (0.52) RAB9AMAPTKMT2ATP53HPGD
SCHEMBL5743773 0.90 AGPAT2 (0.52) RAB9AMAPTKMT2ATP53HPGD
SCHEMBL5743423 0.90 MAPT (0.48) RAB9AMAPTKMT2ATP53HPGD
SCHEMBL5742562 0.90 MAPT (0.53) RAB9AMAPTKMT2ATP53HPGD
SCHEMBL5740308 0.89 AGPAT2 (0.48) RAB9AMAPTKMT2ATP53HPGD

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