SCHEMBL27823398

SCHEMBL27823398

Cc1c(C(=O)NCc2ccc(C(F)(F)F)nc2)cc(-c2ccccc2)cc1S(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITK Q08881 2/20 0.45
P2RX7 Q99572 1/20 0.45
ELANE P08246 12/20 0.42
TACR1 P25103 2/20 0.41
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 1/20 0.41

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
SCHEMBL27802720 0.87 NAMPT (0.47)
SCHEMBL27823415 0.85 AKR1C4 (0.41)
SCHEMBL27823396 0.82 ITK (0.44) ITKTACR1
SCHEMBL27802749 0.80 SCN5A (0.44) ITKTACR1
SCHEMBL1495701 0.77 PTGS2 (0.51) ITK
SCHEMBL22501639 0.71 TRPV1 (0.52) ITKP2RX7
SCHEMBL4881694 0.71 DGAT2 (0.40) ITKP2RX7NR1H2
SCHEMBL12757607 0.71 NR1I2 (0.50) ITK
SCHEMBL12757537 0.70 AKR1C3 (0.48) ITK
SCHEMBL4773435 0.70 ALDH1A1 (0.48) P2RX7NR1H2

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
CN-101981003-B Amide compounds, compositions and uses thereof RENOVIS INC 2014-07-02 CN disclosed
CN-101981003-A Amide compounds, compositions and uses thereof RENOVIS INC 2011-02-23 CN disclosed