SCHEMBL19983891

SCHEMBL19983891

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.49
MPO P05164 3/20 0.42
HTR2A P28223 2/20 0.42
HTR1A P08908 1/20 0.41
ALKBH5 Q6P6C2 2/20 0.40
FTO Q9C0B1 2/20 0.40
NR3C1 P04150 1/20 0.40
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
HTR6 P50406 1/20 0.37
HTR2C P28335 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
SLC6A4 P31645 1/20 0.36
PTGS2 P35354 1/20 0.35

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
SCHEMBL19984003 0.89 GPR84 (0.50) GPR84MPOHTR2AHTR1AALKBH5
SCHEMBL19984005 0.88 HTR2A (0.44) GPR84HTR2AALKBH5FTONR3C1
SCHEMBL19984030 0.87 GPR84 (0.48) GPR84MPOHTR2AHTR1AALKBH5
SCHEMBL19983748 0.87 GPR84 (0.50) GPR84MPOHTR2AHTR1AALKBH5
SCHEMBL19983944 0.87 GPR84 (0.40) GPR84MPOHTR2AHTR1AALKBH5
SCHEMBL19983847 0.86 TBXAS1 (0.42) GPR84HTR2AHTR1ANR3C1CHRNB2
SCHEMBL19983867 0.86 HTR2C (0.42) HTR2AHTR1AHTR6HTR2CCHRNB2
SCHEMBL19984197 0.86 GPR84 (0.49) GPR84HTR2ACHRNB2CHRNA7CHRNA4
SCHEMBL19983751 0.86 GPR84 (0.40) GPR84MPOHTR2AHTR1AALKBH5
SCHEMBL19983983 0.85 GPR84 (0.44) GPR84MPOHTR2AHTR1AALKBH5

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