SCHEMBL21675486

SCHEMBL21675486

CCc1ccccc1-c1cc(F)c(SC#N)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 6/20 0.42
FEN1 P39748 6/20 0.42
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
TRPA1 O75762 1/20 0.36
ADRA2C P18825 1/20 0.35
LOX P28300 1/20 0.34
GRM5 P41594 1/20 0.34
HTT P42858 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
KCNN4 O15554 1/20 0.33
PDE10A Q9Y233 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 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
SCHEMBL21648942 0.89 ALDH1A1 (0.36) ALOX5APFEN1FFAR1FFAR4ALDH1A1
SCHEMBL9287992 0.77 ALOX5AP (0.50) ALOX5APFEN1FFAR1FFAR4MAPT
SCHEMBL24940635 0.77 ALDH1A1 (0.35) ALOX5APFEN1ALDH1A1MAPTPOLB
SCHEMBL2947210 0.75 CYP11B1 (0.51) ALOX5APFEN1TRPA1
SCHEMBL24940678 0.74 ALDH1A1 (0.33) FFAR1FFAR4ALDH1A1MAPTPOLB
SCHEMBL18626170 0.74 CYP11B1 (0.41) ALDH1A1
SCHEMBL21675442 0.73 BCL2 (0.40) ALDH1A1MAPTPOLB
SCHEMBL23347204 0.73 ALOX5AP (0.56) ALOX5APFEN1FFAR1FFAR4PDE3B
SCHEMBL18626148 0.73 CYP11B1 (0.44) FFAR1ALDH1A1MAPTHTTHSP90AA1
SCHEMBL11673411 0.72 GRM5 (0.49) ALOX5APFEN1FFAR1FFAR4MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3599266-B1 LIQUID-CRYSTAL LENS MERCK PATENT GMBH (DE) 2021-05-12 EP disclosed
EP-3599266-A1 LIQUID-CRYSTAL LENS Merck Patent GmbH (DE) 2020-01-29 EP disclosed