SCHEMBL19983754

SCHEMBL19983754

CNCc1c[nH]c2cc(Nc3ccc(C)cc3F)ccc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.45
ALKBH5 Q6P6C2 1/20 0.40
FTO Q9C0B1 1/20 0.40
GPR84 Q9NQS5 3/20 0.40
PCSK9 Q8NBP7 1/20 0.39
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
HTR1D P28221 1/20 0.36
PTGS2 P35354 3/20 0.36
NR3C1 P04150 2/20 0.35
NR3C2 P08235 1/20 0.35
KDM4E B2RXH2 2/20 0.35
APP P05067 2/20 0.35
MPO P05164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTGS1 P23219 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
SCHEMBL19984003 0.89 GPR84 (0.50) HTR2AALKBH5FTOGPR84CHRNB2
SCHEMBL19984005 0.88 HTR2A (0.44) HTR2AALKBH5FTOGPR84PCSK9
SCHEMBL19983772 0.87 GPR84 (0.48) HTR2AGPR84CHRNB2CHRNA7CHRNA4
SCHEMBL19984124 0.86 GPR84 (0.42) HTR2AALKBH5FTOGPR84CHRNB2
SCHEMBL19983849 0.86 GPR84 (0.40) HTR2AALKBH5FTOGPR84CHRNB2
SCHEMBL19984153 0.86 GPR84 (0.40) HTR2AALKBH5FTOGPR84CHRNB2
SCHEMBL19983715 0.86 HTR2A (0.42) HTR2AALKBH5FTOGPR84PCSK9
SCHEMBL19983830 0.85 HTR2A (0.48) HTR2AGPR84HTR1DKDM4EALDH1A1
SCHEMBL19983711 0.85 CDK2 (0.40) HTR2AGPR84CHRNB2CHRNA7CHRNA4
SCHEMBL19983858 0.84 GPR84 (0.40) HTR2AALKBH5FTOGPR84CHRNB2

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