SCHEMBL19983739

SCHEMBL19983739

CNCc1c[nH]c2cc(Nc3ccc(Br)cc3Cl)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.50
CHRNA7 P36544 2/20 0.50
CHRNA4 P43681 2/20 0.50
GPR84 Q9NQS5 2/20 0.39
IDO1 P14902 1/20 0.37
EGFR P00533 3/20 0.37
ADRB3 P13945 1/20 0.37
HTR2A P28223 2/20 0.36
SLC6A4 P31645 2/20 0.36
KCNH2 Q12809 2/20 0.36
CSNK2A1 P68400 2/20 0.35
CDK2 P24941 2/20 0.35
PTGS2 P35354 1/20 0.35
KDR P35968 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 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
SCHEMBL19983715 0.89 HTR2A (0.42) CHRNB2CHRNA7CHRNA4GPR84ADRB3
SCHEMBL19984030 0.86 GPR84 (0.48) CHRNB2CHRNA7CHRNA4GPR84HTR2A
SCHEMBL19984001 0.84 MAPK8 (0.48) CHRNB2CHRNA7CHRNA4GPR84HTR2A
SCHEMBL19983945 0.83 TBXAS1 (0.41) GPR84HTR2ASLC6A4KCNH2CDK2
SCHEMBL15897700 0.81 CHRNB2 (0.72) CHRNB2CHRNA7CHRNA4GPR84IDO1
SCHEMBL19983859 0.81 CDK2 (0.41) GPR84IDO1HTR2ASLC6A4KCNH2
SCHEMBL19984002 0.81 CHRNB2 (0.51) CHRNB2CHRNA7CHRNA4GPR84IDO1
SCHEMBL19984234 0.81 BCL6 (0.38) CHRNB2CHRNA7CHRNA4GPR84SLC6A4
SCHEMBL19984197 0.80 GPR84 (0.49) CHRNB2CHRNA7CHRNA4GPR84ADRB3
SCHEMBL19983894 0.79 GPR84 (0.39) CHRNB2CHRNA7CHRNA4GPR84HTR2A

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