SCHEMBL25534889

SCHEMBL25534889

Cc1cc(C)c(C)c(-c2c3ccccc3c(-c3ccc(F)cc3)c[n+]2C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.36
ACHE P22303 2/20 0.34
PTGS2 P35354 3/20 0.33
FFAR4 Q5NUL3 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
GRM2 Q14416 2/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
NR2F2 P24468 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PSMB5 P28074 1/20 0.31
PTGS1 P23219 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
SCHEMBL26301181 0.91 RAB9A (0.38) ACHECYP1A2CYP2A6KDM4EMEN1
SCHEMBL25534886 0.85 NR4A2 (0.37) NR4A2ACHEPTGS2GRM2KDM4E
SCHEMBL25534899 0.85 NR1H2 (0.32) ACHEGRM2RAB9A
SCHEMBL25534890 0.83 LMNA (0.31) LMNAGCGR
SCHEMBL25534884 0.82 PTGS2 (0.41) NR4A2ACHEPTGS2CYP1A2ALDH1A1
SCHEMBL26782776 0.76 CYP1A2 (0.33) CYP1A2CYP2A6
SCHEMBL25535513 0.75 TNKS2 (0.35) GRM2
SCHEMBL26301182 0.75 LMNA (0.32) LMNA
SCHEMBL25535947 0.74 ACHE (0.44) NR4A2ACHEGRM2RAB9A
SCHEMBL25444352 0.68 PSMB5 (0.37) CYP1A2CYP2A6KDM4EMEN1ALDH1A1

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