SCHEMBL24521132

SCHEMBL24521132

N#Cc1cccc2c1-c1cc(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)c3ccccc3c1C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.42
MYC P01106 1/20 0.39
SQOR Q9Y6N5 5/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
ADORA1 P30542 5/20 0.37
ADORA2A P29274 4/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
MAPK1 P28482 2/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36
PIM1 P11309 1/20 0.36

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
SCHEMBL24521214 0.89 KCNH2 (0.43) KCNH2SQORL3MBTL1MAPK1ALDH1A1
SCHEMBL24521063 0.88 MYC (0.47) MYCSQORGABRG2GABRB3GABRA5
SCHEMBL24521134 0.86 KCNH2 (0.41) KCNH2SQORL3MBTL1MAPK1CYP11B1
SCHEMBL24521041 0.86 KCNH2 (0.39) KCNH2SQORGABRG2GABRB3GABRA5
SCHEMBL24521164 0.80 ADORA2A (0.37) KCNH2SQORADORA2A
SCHEMBL24521007 0.79 ABCG2 (0.40) MYCSQORGABRG2GABRB3GABRA5
SCHEMBL24521125 0.77 ABCG2 (0.40) MYCSQORGABRG2GABRB3GABRA5
SCHEMBL24521100 0.77 SQOR (0.39) MYCSQOR
SCHEMBL24521255 0.76 ACACA (0.41) MYCL3MBTL1MAPK1KDM4EHPGD
SCHEMBL28084356 0.73 KCNH2 (0.44) KCNH2SQORGABRG2GABRB3GABRA5

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-4015515-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LT Materials Co., Ltd. (KR) 2022-06-22 EP disclosed