SCHEMBL24524203

SCHEMBL24524203

N#Cc1ccc2c3cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc4c5ccc(C#N)cc5n(c2c1)c34

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 10/20 0.38
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
G6PD P11413 2/20 0.34
ENPP3 O14638 1/20 0.33
DUSP3 P51452 1/20 0.33
CYP19A1 P11511 1/20 0.32

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
SCHEMBL24523713 0.89 KDM4E (0.39) TDP2KDM4EATML3MBTL1G6PD
SCHEMBL24524222 0.87 KDM4E (0.42) TDP2KDM4EATML3MBTL1G6PD
SCHEMBL24523790 0.84 KDM4E (0.43) TDP2KDM4EATML3MBTL1G6PD
SCHEMBL24524204 0.84 ATM (0.43) TDP2KDM4EATML3MBTL1G6PD
SCHEMBL24523778 0.83 KDM4E (0.42) TDP2KDM4EATML3MBTL1G6PD
SCHEMBL24523716 0.82 ENPP3 (0.35) KDM4EENPP3DUSP3CYP19A1
SCHEMBL18348494 0.82 KDM4E (0.42) TDP2KDM4EATML3MBTL1DUSP3
SCHEMBL21202451 0.82 KDM4E (0.41) TDP2KDM4EATML3MBTL1G6PD
SCHEMBL18348362 0.82 KDM4E (0.41) TDP2KDM4EATML3MBTL1G6PD
SCHEMBL24523765 0.81 PTGDR2 (0.40) G6PDENPP3CYP19A1

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