SCHEMBL19984287

SCHEMBL19984287

CNCc1c[nH]c2cc(-c3ccnc(F)c3)ccc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
NFATC1 O95644 1/20 0.43
DYRK1A Q13627 1/20 0.43
GPR84 Q9NQS5 3/20 0.42
CHRNB2 P17787 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
TDO2 P48775 1/20 0.39
WNT3A P56704 1/20 0.38
IDO1 P14902 1/20 0.37
MPO P05164 1/20 0.36
IMPDH2 P12268 1/20 0.36
HTR2A P28223 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 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
SCHEMBL19983953 0.79 GPR84 (0.43) GPR84CHRNB2CHRNA7CHRNA4TDO2
SCHEMBL19983776 0.77 CHRNB2 (0.42) DYRK1AGPR84CHRNB2CHRNA7CHRNA4
SCHEMBL31415127 0.76 GPR84 (0.72) GPR84CHRNB2CHRNA7CHRNA4TDO2
SCHEMBL19984200 0.76 ROCK2 (0.41) GPR84CHRNB2CHRNA7CHRNA4TDO2
SCHEMBL19983923 0.74 GPR84 (0.51) GPR84CHRNB2CHRNA7CHRNA4HTR2A
SCHEMBL19984283 0.73 HTR2A (0.47) GPR84CHRNB2CHRNA7CHRNA4TDO2
SCHEMBL19983810 0.73 ALKBH5 (0.39) GPR84CHRNB2CHRNA7CHRNA4MAPK1
SCHEMBL3281375 0.71 HTR2A (0.61) MAPTGPR84CHRNB2CHRNA7CHRNA4
SCHEMBL15897700 0.70 CHRNB2 (0.72) GPR84CHRNB2CHRNA7CHRNA4IDO1
SCHEMBL19983863 0.70 GPR84 (0.38) GPR84CHRNB2CHRNA7CHRNA4TDO2

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