SCHEMBL19983749

SCHEMBL19983749

CNCc1c[nH]c2cc(Nc3c(F)c(F)c(C(F)(F)F)c(F)c3F)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.39
CHRNB2 P17787 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
MPO P05164 2/20 0.34
TBXAS1 P24557 1/20 0.34
HTR2A P28223 3/20 0.33
HTR1A P08908 3/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
APP P05067 3/20 0.32
HTR6 P50406 1/20 0.32
CFTR P13569 1/20 0.32
HTR2C P28335 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
CYP2D6 P10635 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR2B P41595 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL19984243 0.81 GPR84 (0.46) GPR84CHRNB2CHRNA7CHRNA4MPO
SCHEMBL19983845 0.81 TBXAS1 (0.44) GPR84CHRNB2CHRNA7CHRNA4TBXAS1
SCHEMBL19983983 0.80 GPR84 (0.44) GPR84CHRNB2CHRNA7CHRNA4MPO
SCHEMBL19984119 0.79 GPR84 (0.53) GPR84CHRNB2CHRNA7CHRNA4MPO
SCHEMBL19984146 0.79 CHRNB2 (0.46) GPR84CHRNB2CHRNA7CHRNA4MPO
SCHEMBL19983887 0.79 GPR84 (0.43) GPR84CHRNB2CHRNA7CHRNA4MPO
SCHEMBL19983765 0.79 GPR84 (0.43) GPR84CHRNB2CHRNA7CHRNA4MPO
SCHEMBL19983989 0.77 GPR84 (0.46) GPR84CHRNB2CHRNA7CHRNA4MPO
SCHEMBL19983758 0.77 GPR84 (0.37) GPR84CHRNB2CHRNA7CHRNA4MPO
SCHEMBL19984242 0.77 HTR2A (0.44) GPR84CHRNB2CHRNA7CHRNA4HTR2A

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-3052484-B1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAE WOONG PHARMA (KR) 2018-03-21 EP disclosed