SCHEMBL5743423

SCHEMBL5743423

COc1ccc(-c2cc(N)c3cc(Nc4cc(-c5cccc(F)c5)nc(N)n4)ccc3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
ACP1 P24666 8/20 0.48
AGPAT2 O15120 1/20 0.44
PLA2G2A P14555 1/20 0.44
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL5741121 0.94 ABCG2 (0.47) MAPTTP53KMT2AHPGDALOX15
SCHEMBL5741286 0.92 MAPT (0.53) MAPTTP53KMT2AHPGDALOX15
SCHEMBL5743457 0.91 ACP1 (0.54) MAPTTP53KMT2AHPGDALOX15
SCHEMBL5742142 0.91 MAPT (0.57) MAPTTP53KMT2AHPGDALOX15
SCHEMBL5740131 0.90 AGPAT2 (0.54) MAPTTP53KMT2AHPGDALOX15
SCHEMBL5743044 0.90 AGPAT2 (0.50) MAPTTP53AGPAT2AURKAAURKB
SCHEMBL5743353 0.90 RAB9A (0.52) MAPTTP53KMT2AHPGDALOX15
SCHEMBL5743773 0.89 AGPAT2 (0.52) MAPTTP53KMT2AHPGDALOX15
SCHEMBL5740501 0.89 AGPAT2 (0.52) MAPTTP53KMT2AHPGDALOX15
SCHEMBL5740955 0.88 ACP1 (0.51) MAPTTP53KMT2AHPGDALOX15

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