SCHEMBL24523906

SCHEMBL24523906

CC(C)c1c(C#N)ccc2c3cccc4c5ccc(C#N)c(C(C)C)c5n(c12)c34

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.38
IMPDH1 P20839 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
PNMT P11086 1/20 0.35
AR P10275 5/20 0.33
DYRK1A Q13627 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
LRRK2 Q5S007 2/20 0.31
KDM5A P29375 2/20 0.31
KDM6B O15054 1/20 0.31
KDM5C P41229 1/20 0.31
KDM5D Q9BY66 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
PHF8 Q9UPP1 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
SCHEMBL24523891 0.77 ALDH1A1 (0.39) IMPDH2IMPDH1KDM4EALDH1A1GAA
SCHEMBL24524261 0.74 PNMT (0.41) IMPDH2IMPDH1KDM4EALDH1A1GAA
SCHEMBL807524 0.73 TSHR (0.46) IMPDH2IMPDH1KDM4EALDH1A1GAA
SCHEMBL24523742 0.72 IMPDH2 (0.34) IMPDH2IMPDH1KDM4EALDH1A1GAA
SCHEMBL24524254 0.71 AR (0.39) IMPDH2IMPDH1KDM4EALDH1A1GAA
SCHEMBL21871913 0.70 CA1 (0.46) IMPDH2IMPDH1KDM4EALDH1A1GAA
SCHEMBL24523916 0.70 AR (0.38) IMPDH2IMPDH1KDM4EALDH1A1GAA
SCHEMBL24523737 0.70 IMPDH2 (0.35) IMPDH2IMPDH1KDM4EALDH1A1GAA
SCHEMBL26349030 0.69 DYRK1A (0.41) IMPDH2IMPDH1KDM4EALDH1A1DYRK1A
SCHEMBL24523844 0.69 AR (0.35) KDM4EALDH1A1PNMTAR

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-2022129116-A1 INDOLO[3.2.1-JK]CARBAZOLE-6-CARBONITRILE DERIVATIVES AS BLUE FLUORESCENT EMITTERS FOR USE IN OLEDS MERCK PATENT GMBH (DE) 2022-06-23 WO disclosed