SCHEMBL19983748

SCHEMBL19983748

CNCc1c[nH]c2cc(Nc3cc(F)ccc3F)ccc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.50
HTR2A P28223 3/20 0.46
MPO P05164 3/20 0.43
HTR1A P08908 2/20 0.41
ALKBH5 Q6P6C2 2/20 0.41
FTO Q9C0B1 2/20 0.41
APP P05067 2/20 0.38
HTR2C P28335 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
HTR6 P50406 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
KMT2A Q03164 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
SCHEMBL19984003 0.90 GPR84 (0.50) GPR84HTR2AMPOHTR1AALKBH5
SCHEMBL19984124 0.88 GPR84 (0.42) GPR84HTR2AMPOHTR1AALKBH5
SCHEMBL19983891 0.87 GPR84 (0.49) GPR84HTR2AMPOHTR1AALKBH5
SCHEMBL19984119 0.86 GPR84 (0.53) GPR84HTR2AMPOHTR1AALKBH5
SCHEMBL19984030 0.86 GPR84 (0.48) GPR84HTR2AMPOHTR1AALKBH5
SCHEMBL19983858 0.85 GPR84 (0.40) GPR84HTR2AMPOHTR1AALKBH5
SCHEMBL19984153 0.84 GPR84 (0.40) GPR84HTR2AMPOHTR1AALKBH5
SCHEMBL19983849 0.84 GPR84 (0.40) GPR84HTR2AMPOHTR1AALKBH5
SCHEMBL19983989 0.84 GPR84 (0.46) GPR84HTR2AMPOHTR1AALKBH5
SCHEMBL19983772 0.83 GPR84 (0.48) GPR84HTR2AAPPCHRNB2CHRNA7

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