SCHEMBL18330652

SCHEMBL18330652

COc1ccc(N(c2ccc(OC)cc2)c2ccc3c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4n(-n4c5cc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)ccc5c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc54)c3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
HSD17B10 Q99714 3/20 0.38
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 1/20 0.38
SLC2A1 P11166 1/20 0.37
GAA P10253 2/20 0.36
NPC1 O15118 1/20 0.36
THRB P10828 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL9913247 0.80 MAPT (0.46) KDM4EALDH1A1MAPTHSD17B10KMT2A
SCHEMBL18084005 0.79 P2RX4 (0.42) KDM4EALDH1A1MAPTHSD17B10KMT2A
SCHEMBL17485890 0.79 KDM4E (0.48) CA1CA2CA12CA7CA9
SCHEMBL1573622 0.78 CA1 (0.65) CA1CA2CA12CA7CA9
SCHEMBL6233100 0.78 CA1 (0.65) CA1CA2CA12CA7CA9
SCHEMBL22338118 0.77 ALDH1A1 (0.56) CA1CA2CA12CA7CA9
SCHEMBL14163846 0.76 CA1 (0.55) CA1CA2CA12CA7CA9
SCHEMBL17414863 0.75 ALDH1A1 (0.63) KDM4EALDH1A1MAPTHSD17B10KMT2A
SCHEMBL29522688 0.75 ALDH1A1 (0.63) KDM4EALDH1A1MAPTHSD17B10KMT2A
SCHEMBL8944267 0.75 CA1 (0.48) CA1CA2CA12CA7CA9

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
WO-2016201513-A1 ELECTROACTIVE MATERIALS, PRINTING COMPOSITIONS AND METHODS OF MANUFACTURING SOLAR CELLS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2016-12-22 WO disclosed