SCHEMBL25534895

SCHEMBL25534895

Cc1ccccc1-c1c2cccc(-c3ccc(F)cc3)c2cc[n+]1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.38
RAB9A P51151 1/20 0.37
RCE1 Q9Y256 1/20 0.37
ACHE P22303 1/20 0.36
CYP17A1 P05093 1/20 0.36
NR4A2 P43354 1/20 0.36
PTGS2 P35354 1/20 0.36
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
NR3C1 P04150 2/20 0.34
PGR P06401 2/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
GRM2 Q14416 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL25534898 0.87 NR1H2 (0.34) MAPK14RAB9ARCE1CYP17A1TNKS
SCHEMBL25534884 0.85 PTGS2 (0.41) MAPK14ACHECYP17A1NR4A2PTGS2
SCHEMBL26794190 0.83 CYP1A2 (0.46) MAPK14RAB9ARCE1MAPTNPC1
SCHEMBL25534899 0.83 NR1H2 (0.32) RAB9ARCE1ACHECYP17A1GRM2
SCHEMBL25535514 0.80 NR3C1 (0.38) MAPK14TNKS2NR3C1PGRMAPT
SCHEMBL25535385 0.80 NR3C1 (0.40) MAPK14TNKS2NR3C1PGRMAPT
SCHEMBL26835083 0.77 BRD4 (0.33) MAPK14RAB9ARCE1
SCHEMBL26794292 0.75 KCNN2 (0.34) HPGD
SCHEMBL26835214 0.75 GABRA1 (0.38) TDP1
SCHEMBL25447980 0.75 HPRT1 (0.44) MAPTHPGDMAPK1HSD17B10TDP1

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
US-20230157153-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-05-18 US disclosed