SCHEMBL25535514

SCHEMBL25535514

Cc1ccccc1-c1c2cc(-c3ccc(F)cc3)ccc2cc[n+]1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
MAPK14 Q16539 2/20 0.36
CTSD P07339 1/20 0.35
BACE1 P56817 1/20 0.35
MAPT P10636 2/20 0.35
PDE2A O00408 1/20 0.34
PDE10A Q9Y233 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
CYP1A2 P05177 3/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2D6 P10635 3/20 0.33
CYP2C19 P33261 3/20 0.33
TSHR P16473 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 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
SCHEMBL25535385 0.90 NR3C1 (0.40) NR3C1PGRMAPK14CTSDBACE1
SCHEMBL25442900 0.80 CYP1A2 (0.47) CTSDBACE1MAPTALDH1A1CYP1A2
SCHEMBL25534895 0.80 MAPK14 (0.38) NR3C1PGRMAPK14MAPTKDM4E
SCHEMBL25444349 0.80 CTSD (0.38) MAPK14CTSDBACE1KDM4ETNKS2
SCHEMBL25442764 0.77 CYP2A6 (0.45) ALDH1A1CYP1A2TSHRHPGD
SCHEMBL25442932 0.76 CYP1A2 (0.37) MAPTALDH1A1KDM4ETNKS2CYP1A2
SCHEMBL25442928 0.76 CYP1A2 (0.37) MAPTALDH1A1KDM4ETNKS2CYP1A2
SCHEMBL25452129 0.76 NR3C1 (0.41) NR3C1PGRMAPTPDE2APDE10A
SCHEMBL25445492 0.76 CYP1A2 (0.38) CTSDBACE1MAPTALDH1A1CYP1A2
SCHEMBL26794245 0.76 LMNA (0.40) CTSDBACE1ALDH1A1CYP1A2HPGD

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