SCHEMBL20923665

SCHEMBL20923665

COc1ccc2c3ccccc3n(-c3cc(C#N)c(-c4ccncc4)cc3C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 2/20 0.41
KDM4E B2RXH2 4/20 0.39
MAPT P10636 4/20 0.39
MEN1 O00255 2/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
PABPC1 P11940 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP3 P42574 1/20 0.39
NCOA1 Q15788 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
DYRK1A Q13627 3/20 0.38
CLK1 P49759 2/20 0.38
CLK2 P49760 2/20 0.38
CLK3 P49761 2/20 0.38
CDK5 Q00535 2/20 0.38

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
SCHEMBL20923664 0.94 KDM4E (0.43) SQORKDM4EMAPTMEN1HTT
SCHEMBL20923162 0.90 MAPT (0.43) SQORKDM4EMAPTMEN1HTT
SCHEMBL20923624 0.87 SQOR (0.36) SQORKDM4EMEN1HTTKMT2A
SCHEMBL20923820 0.87 CYP11B1 (0.37) SQORKDM4ELMNANCOA3HPGD
SCHEMBL20923560 0.86 SQOR (0.40) SQORKDM4EMAPTMEN1KMT2A
SCHEMBL20924111 0.85 AR (0.39) SQORKDM4EMEN1KMT2ALMNA
SCHEMBL20923723 0.85 TRPA1 (0.38) SQORKDM4ELMNAMAPK1CLK4
SCHEMBL20923159 0.85 SQOR (0.43) SQORKDM4EMAPTMEN1HTT
SCHEMBL20923160 0.84 CLK1 (0.39) SQORKDM4ELMNADYRK1ACLK1
SCHEMBL20923646 0.83 KDM4E (0.36) SQORKDM4EMAPTMEN1HTT

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-3266772-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-04-24 EP disclosed