SCHEMBL19983953

SCHEMBL19983953

CNCc1c[nH]c2cc(-c3cnc(F)c(C)c3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.43
TDO2 P48775 8/20 0.42
METAP2 P50579 1/20 0.41
MPO P05164 2/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
SSTR3 P32745 2/20 0.37
HTR2A P28223 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
HTR1A P08908 1/20 0.36
SLC6A4 P31645 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
SCHEMBL19984287 0.79 MAPT (0.45) GPR84TDO2MPOCHRNB2CHRNA7
SCHEMBL19984200 0.78 ROCK2 (0.41) GPR84TDO2CHRNB2CHRNA7CHRNA4
SCHEMBL19983776 0.77 CHRNB2 (0.42) GPR84TDO2CHRNB2CHRNA7CHRNA4
SCHEMBL31415127 0.76 GPR84 (0.72) GPR84TDO2MPOCHRNB2CHRNA7
SCHEMBL19984283 0.73 HTR2A (0.47) GPR84TDO2MPOCHRNB2CHRNA7
SCHEMBL3281375 0.72 HTR2A (0.61) GPR84CHRNB2CHRNA7CHRNA4HTR2A
SCHEMBL19983923 0.71 GPR84 (0.51) GPR84CHRNB2CHRNA7CHRNA4HTR2A
SCHEMBL19984044 0.69 GPR84 (0.40) GPR84MPOCHRNB2CHRNA7CHRNA4
SCHEMBL19983891 0.69 GPR84 (0.49) GPR84MPOCHRNB2CHRNA7CHRNA4
SCHEMBL19983731 0.69 GPR84 (0.37) GPR84TDO2CHRNB2CHRNA7CHRNA4

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