SCHEMBL19983863

SCHEMBL19983863

CNCc1c[nH]c2cc(Nc3cccnc3F)ccc12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.38
TDO2 P48775 1/20 0.37
PTGS2 P35354 3/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
CYP3A4 P08684 1/20 0.36
GRM4 Q14833 2/20 0.36
HTR1A P08908 2/20 0.34
MMP2 P08253 1/20 0.33
MPO P05164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTR2A P28223 1/20 0.33
HTT P42858 1/20 0.33
CFTR P13569 1/20 0.33
KDR P35968 1/20 0.33
TBXAS1 P24557 1/20 0.33

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
SCHEMBL19983892 0.87 PTGS2 (0.46) GPR84TDO2PTGS2CHRNB2CHRNA7
SCHEMBL19984195 0.84 LRRK2 (0.41) PTGS2CHRNB2CHRNA7CHRNA4CYP3A4
SCHEMBL19984015 0.84 GRM4 (0.39) GPR84TDO2CHRNB2CHRNA7CHRNA4
SCHEMBL19983913 0.82 GPR84 (0.38) GPR84TDO2PTGS2CHRNB2CHRNA7
SCHEMBL19983828 0.81 LMNA (0.38) GPR84CHRNB2CHRNA7CHRNA4GRM4
SCHEMBL19983738 0.81 GPR84 (0.39) GPR84PTGS2CHRNB2CHRNA7CHRNA4
SCHEMBL19984124 0.80 GPR84 (0.42) GPR84CHRNB2CHRNA7CHRNA4HTR1A
SCHEMBL19983890 0.80 EGFR (0.43) GPR84CHRNB2CHRNA7CHRNA4GRM4
SCHEMBL19984142 0.80 BACE1 (0.39) GPR84GRM4
SCHEMBL19983904 0.80 GRM4 (0.45) GRM4ALDH1A1KDR

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