SCHEMBL4608950

SCHEMBL4608950

CC(C)Cn1ncc2cc(Oc3ccc(F)cc3)c(OC(N)=O)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.48
▸ HTR2A P28223 6/20 0.44
▸ HTR2C P28335 6/20 0.44
▸ HTR2B P41595 3/20 0.40
▸ HTR1A P08908 2/20 0.37
▸ ADRA2A P08913 2/20 0.37
▸ ADRA2B P18089 2/20 0.37
▸ ADRA2C P18825 2/20 0.37
▸ HTR1D P28221 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ HTR4 Q13639 1/20 0.37
▸ KMO O15229 1/20 0.36
▸ HIPK4 Q8NE63 1/20 0.36
▸ SCN9A Q15858 6/20 0.36
▸ MCHR2 Q969V1 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ FPR2 P25090 3/20 0.35
▸ ICAM1 P05362 1/20 0.35
▸ SELE P16581 1/20 0.35
▸ CARM1 Q86X55 1/20 0.35

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
SCHEMBL2450377 0.87 MAPK14 (0.55) MAPK14HTR2AHTR2CHTR2BHTR1A
SCHEMBL2446126 0.83 MAPK14 (0.56) MAPK14HTR2AHTR2CHTR2BKMO
SCHEMBL4610566 0.82 MAPK14 (0.62) MAPK14HTR2AHTR2CHTR2BHTR7
SCHEMBL4609146 0.81 MAPK14 (0.57) MAPK14HTR2AHTR2CHIPK4SCN9A
SCHEMBL4610157 0.81 MAPK14 (0.46) MAPK14SCN9AMCHR2MCHR1
SCHEMBL4608602 0.80 MAPK14 (0.48) MAPK14HTR2AHTR2CHTR1AHTR7
SCHEMBL4611378 0.79 MAPK14 (0.45) MAPK14MCHR2MCHR1NR3C1
SCHEMBL14312174 0.79 MAPK14 (0.63) MAPK14HTR2AHTR2CKMOCARM1
SCHEMBL2474183 0.78 MAPK14 (0.61) MAPK14HTR2AHTR2CHTR2BKMO
SCHEMBL4611567 0.77 MAPK14 (0.44) MAPK14SCN9A

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
EP-1606283-B1 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2008-10-08 — — EP claimed
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