SCHEMBL30488185

SCHEMBL30488185

CCCC(C(N)=O)c1ccc(OC(F)(F)F)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.42
EPHX1 P07099 2/20 0.41
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
PLA2G10 O15496 3/20 0.37
PLA2G2A P14555 3/20 0.37
PLA2G5 P39877 3/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
PDE2A O00408 3/20 0.36
FPR2 P25090 1/20 0.36
SCN9A Q15858 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
CYP2C9 P11712 1/20 0.36
CFTR P13569 1/20 0.36
CPB1 P15086 1/20 0.36
MMP9 P14780 1/20 0.36

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
SCHEMBL26773895 0.78 SCN10A (0.39) SCN10AABL1BCRPDE2A
SCHEMBL20372909 0.77 ESR1 (0.36) SCN10AABL1BCRPDE2ANOS3
SCHEMBL1849854 0.76 ADRA2A (0.38) HDAC1HDAC2NOS3NOS2CYP2C9
SCHEMBL21503683 0.72 SLC2A1 (0.37) SCN10AABL1BCRHDAC3HDAC1
SCHEMBL934355 0.72 EPHX1 (0.52) SCN10AEPHX1HDAC3HDAC1HDAC2
SCHEMBL20098206 0.72 SCN10A (0.41) SCN10APDE2AHRH3PDE3APDE10A
SCHEMBL21600629 0.71 SCN10A (0.46) SCN10APDE2ASCN9A
SCHEMBL13073830 0.71 SCN10A (0.41) SCN10APDE2ASCN9A
SCHEMBL30488161 0.70 KMT2A (0.44) HDAC3HDAC1HDAC2CYP2C9ALOX5
SCHEMBL11501021 0.70 ALDH1A1 (0.44) EPHX1HDAC3HDAC1HDAC2PDE2A

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
WO-2023107630-A2 AMINO ALCOHOL COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed