SCHEMBL19983989

SCHEMBL19983989

CNCc1c[nH]c2cc(Nc3ccc(F)cc3C(F)(F)F)ccc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.46
MPO P05164 3/20 0.40
HTR2A P28223 3/20 0.40
HTR1A P08908 2/20 0.39
ALKBH5 Q6P6C2 2/20 0.39
FTO Q9C0B1 2/20 0.39
HTR6 P50406 2/20 0.35
HTR2C P28335 2/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
AR P10275 1/20 0.34
PTGS2 P35354 1/20 0.34
NR3C1 P04150 1/20 0.34
DRD2 P14416 1/20 0.34
HTR7 P34969 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
SCHEMBL19984128 0.89 TBXAS1 (0.42) GPR84HTR2AHTR1ACHRNB2CHRNA7
SCHEMBL19983905 0.88 GPR84 (0.45) GPR84HTR2ACHRNB2CHRNA7CHRNA4
SCHEMBL19984003 0.86 GPR84 (0.50) GPR84MPOHTR2AHTR1AALKBH5
SCHEMBL19984116 0.86 CDK2 (0.44) ARNR3C1
SCHEMBL19983891 0.85 GPR84 (0.49) GPR84MPOHTR2AHTR1AALKBH5
SCHEMBL19983758 0.84 GPR84 (0.37) GPR84MPOHTR2AALKBH5FTO
SCHEMBL19984030 0.84 GPR84 (0.48) GPR84MPOHTR2AHTR1AALKBH5
SCHEMBL19983748 0.84 GPR84 (0.50) GPR84MPOHTR2AHTR1AALKBH5
SCHEMBL19984119 0.82 GPR84 (0.53) GPR84MPOHTR2AHTR1AALKBH5
SCHEMBL19983847 0.81 TBXAS1 (0.42) GPR84HTR2AHTR1ACHRNB2CHRNA7

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