SCHEMBL20828616

SCHEMBL20828616

Cc1ccccc1-c1cc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3c(-c4ccc5oc6ccccc6c5c4-c4cccc5ccccc45)ccc4oc5ccccc5c34)cc2)ccc1C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL20828729 0.93 MAPT (0.35) ALDH1A1MAPT
SCHEMBL20828564 0.88 MAPT (0.33) CA12CA1CA2CA9ALDH1A1
SCHEMBL20828761 0.87 TDP1 (0.35) CA12CA1CA2CA9ALDH1A1
SCHEMBL20828568 0.84
SCHEMBL20828576 0.83
SCHEMBL20828560 0.83 TDP1 (0.32) ALDH1A1MAPT
SCHEMBL20828554 0.82
SCHEMBL22915583 0.81 CA12 (0.37) CA12CA1CA2CA9ALDH1A1
SCHEMBL20828703 0.80 CA1 (0.38) CA12CA1CA2CA9ALDH1A1
SCHEMBL20828636 0.80 CA1 (0.38) CA12CA1CA2CA9ALDH1A1

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-2019054599-A1 ORGANIC LIGHT EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME (주)피엔에이치테크 2019-03-21 WO disclosed