SCHEMBL8488208

SCHEMBL8488208

CSc1nccc(-c2[nH]c(C3CCCCN3C(=O)OCc3ccccc3)nc2-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.47
HCRTR2 O43614 3/20 0.47
CPT2 P23786 1/20 0.43
CPT1A P50416 1/20 0.43
CPT1B Q92523 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CSNK1D P48730 1/20 0.43
RPS6KA3 P51812 1/20 0.43
MAPK14 Q16539 10/20 0.43
MAPK13 O15264 4/20 0.43
MAPK9 P45984 4/20 0.43
MAPK12 P53778 4/20 0.43
MAPK11 Q15759 4/20 0.43
RAF1 P04049 2/20 0.42
BTK Q06187 2/20 0.40
TMEM97 Q5BJF2 2/20 0.38
SIGMAR1 Q99720 2/20 0.38

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
SCHEMBL8489824 0.90 MAPK14 (0.55) HCRTR1HCRTR2CPT2CPT1ACPT1B
SCHEMBL8487974 0.89 CPT2 (0.43) HCRTR1HCRTR2CPT2CPT1ACPT1B
SCHEMBL8489467 0.88 CSNK1A1 (0.48) HCRTR1HCRTR2CPT2CPT1ACPT1B
SCHEMBL8487132 0.87 CSNK1A1 (0.47) HCRTR1HCRTR2CPT2CPT1ACPT1B
SCHEMBL6170576 0.87 MAPK14 (0.49) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK13
SCHEMBL8603520 0.86 MAPK14 (0.53) HCRTR1HCRTR2CPT2CPT1ACPT1B
SCHEMBL8488549 0.86 MAPK14 (0.62) CSNK1A1CSNK1DRPS6KA3MAPK14MAPK13
SCHEMBL8488352 0.85 BTK (0.44) HCRTR1HCRTR2CPT2CPT1ACPT1B
SCHEMBL8485395 0.85 BTK (0.44) HCRTR1HCRTR2CPT2CPT1ACPT1B
SCHEMBL8485629 0.85 MAPK14 (0.64) HCRTR1HCRTR2CPT2CPT1ACPT1B

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-5859041-A Substituted imidazoles having cytokine inhibitory activity MERCK & CO., INC. (US) 1999-01-12 US disclosed