SCHEMBL20828699

SCHEMBL20828699

c1ccc(N(c2ccccc2)c2ccc(-c3c(-c4ccc5oc6ccccc6c5c4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc4oc5ccccc5c34)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ TNKS O95271 1/20 0.35
▸ MAPT P10636 5/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ PGAM1 P18669 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34

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
SCHEMBL20828762 0.97 CA1 (0.37) CA1CA2TNKSMAPTKDM4E
SCHEMBL20828587 0.97 CA1 (0.37) CA1CA2TNKSMAPTKDM4E
SCHEMBL20828585 0.97 CA1 (0.37) CA1CA2TNKSMAPTKDM4E
SCHEMBL20828581 0.97 CA1 (0.37) CA1CA2TNKSMAPTKDM4E
SCHEMBL20828604 0.97 CA1 (0.37) CA1CA2TNKSMAPTKDM4E
SCHEMBL20828703 0.95 CA1 (0.38) CA1CA2TNKSMAPTKDM4E
SCHEMBL20828636 0.95 CA1 (0.38) CA1CA2TNKSMAPTKDM4E
SCHEMBL20828771 0.95 CA1 (0.38) CA1CA2TNKSMAPTKDM4E
SCHEMBL20828720 0.95 CA1 (0.38) CA1CA2TNKSMAPTKDM4E
SCHEMBL20828640 0.95 CA1 (0.38) CA1CA2TNKSMAPTKDM4E

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
Send feedback