SCHEMBL25535385

SCHEMBL25535385

Cc1ccccc1-c1c2ccc(-c3ccc(F)cc3)cc2cc[n+]1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
MAPK14 Q16539 4/20 0.36
TNKS2 Q9H2K2 1/20 0.36
CTSD P07339 1/20 0.35
BACE1 P56817 1/20 0.35
MAPT P10636 2/20 0.35
LCK P06239 1/20 0.34
KDR P35968 1/20 0.34
JAK3 P52333 1/20 0.34
PDE2A O00408 1/20 0.34
PDE10A Q9Y233 1/20 0.34
ABL1 P00519 2/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TRPA1 O75762 1/20 0.33
THRB P10828 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 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
SCHEMBL25444349 0.91 CTSD (0.38) MAPK14TNKS2CTSDBACE1LCK
SCHEMBL25535514 0.90 NR3C1 (0.38) NR3C1PGRMAPK14TNKS2CTSD
SCHEMBL25535510 0.86 TNKS2 (0.35) NR3C1TNKS2ABL1ALDH1A1KDM4E
SCHEMBL25535513 0.83 TNKS2 (0.35) TNKS2ABL1
SCHEMBL25444458 0.82 HSD17B1 (0.38) PGRTNKS2BACE1CYP1A2CYP3A4
SCHEMBL25444463 0.82 HSD17B1 (0.37) TNKS2BACE1
SCHEMBL25442846 0.80 CYP1A2 (0.47) CTSDBACE1MAPTALDH1A1KDM4E
SCHEMBL25444494 0.80 CYP11B2 (0.46) LCKKDRJAK3ABL1KDM4E
SCHEMBL25534895 0.80 MAPK14 (0.38) NR3C1PGRMAPK14TNKS2MAPT
SCHEMBL25444351 0.79 LMNA (0.36) TNKS2MAPTALDH1A1KDM4ECYP1A2

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