SCHEMBL19983892

SCHEMBL19983892

CNCc1c[nH]c2cc(Nc3cccnc3C)ccc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.46
PARP14 Q460N5 1/20 0.40
TDO2 P48775 1/20 0.40
CHRNB2 P17787 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
GRM4 Q14833 5/20 0.36
GPR84 Q9NQS5 1/20 0.36
HTR2C P28335 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTR1A P08908 1/20 0.34
HTR2A P28223 1/20 0.34
HTT P42858 1/20 0.34
CFTR P13569 1/20 0.34
KDR P35968 1/20 0.34

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
SCHEMBL19983863 0.87 GPR84 (0.38) PTGS2TDO2CHRNB2CHRNA7CHRNA4
SCHEMBL19984195 0.85 LRRK2 (0.41) PTGS2CHRNB2CHRNA7CHRNA4GRM4
SCHEMBL19983828 0.84 LMNA (0.38) CHRNB2CHRNA7CHRNA4GRM4GPR84
SCHEMBL19983771 0.83 CHRNB2 (0.38) PTGS2CHRNB2CHRNA7CHRNA4GPR84
SCHEMBL19983861 0.83 GPR84 (0.41) PTGS2CHRNB2CHRNA7CHRNA4GRM4
SCHEMBL19984194 0.81 GPR84 (0.39) PTGS2CHRNB2CHRNA7CHRNA4GRM4
SCHEMBL19983904 0.81 GRM4 (0.45) GRM4ALDH1A1KDR
SCHEMBL19984142 0.81 BACE1 (0.39) GRM4GPR84
SCHEMBL19983890 0.81 EGFR (0.43) CHRNB2CHRNA7CHRNA4GRM4GPR84
SCHEMBL19984015 0.81 GRM4 (0.39) TDO2CHRNB2CHRNA7CHRNA4GRM4

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