SCHEMBL13720596

SCHEMBL13720596

COc1ccc(N(c2ccc(OC)cc2)c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccc(N(c6ccccc6)c6ccc(N(c7ccc(OC)cc7)c7ccc(OC)cc7)cc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.59
LTA4H P09960 2/20 0.56
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
KDM4E B2RXH2 2/20 0.52
HPGD P15428 1/20 0.52
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TRPA1 O75762 1/20 0.50

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
SCHEMBL7787060 1.00 CA4 (0.59) CA4LTA4HCA12CA1CA2
SCHEMBL6033721 1.00 CA4 (0.59) CA4LTA4HCA12CA1CA2
SCHEMBL10065553 1.00 CA4 (0.59) CA4LTA4HCA12CA1CA2
SCHEMBL3339294 1.00 CA4 (0.59) CA4LTA4HCA12CA1CA2
SCHEMBL578164 1.00 CA4 (0.59) CA4LTA4HCA12CA1CA2
SCHEMBL13720899 1.00 CA4 (0.59) CA4LTA4HCA12CA1CA2
SCHEMBL10065554 1.00 CA4 (0.59) CA4LTA4HCA12CA1CA2
SCHEMBL10065630 1.00 CA4 (0.59) CA4LTA4HCA12CA1CA2
SCHEMBL13720711 1.00 CA4 (0.59) CA4LTA4HCA12CA1CA2
SCHEMBL12333056 1.00 CA4 (0.59) CA4LTA4HCA12CA1CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576484-B2 Organic electroluminescence device LG DISPLAY CO., LTD. (KR) 2009-08-18 US disclosed
US-7576484-B2 Organic electroluminescence device LG DISPLAY CO., LTD. (KR) 2009-08-18 US disclosed