SCHEMBL19984023

SCHEMBL19984023

CNCc1c[nH]c2cc(Cc3ccc(C)cc3F)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.47
GPR84 Q9NQS5 3/20 0.41
PCSK9 Q8NBP7 1/20 0.40
ALKBH5 Q6P6C2 1/20 0.39
FTO Q9C0B1 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
HTR1D P28221 1/20 0.38
NR3C1 P04150 2/20 0.36
NR3C2 P08235 1/20 0.36
ASH1L Q9NR48 1/20 0.36
MPO P05164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HTR1A P08908 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
SCHEMBL19983829 0.85 HTR2A (0.44) HTR2AGPR84PCSK9ALKBH5FTO
SCHEMBL19984036 0.85 LMNA (0.44) HTR2AGPR84CHRNB2CHRNA7CHRNA4
SCHEMBL19984035 0.84 HTR2A (0.47) HTR2AGPR84PCSK9ALKBH5FTO
SCHEMBL19983801 0.82 GPR84 (0.41) HTR2AGPR84CHRNB2CHRNA7CHRNA4
SCHEMBL3281375 0.82 HTR2A (0.61) HTR2AGPR84PCSK9ALKBH5FTO
SCHEMBL19984044 0.81 GPR84 (0.40) HTR2AGPR84CHRNB2CHRNA7CHRNA4
SCHEMBL19984283 0.80 HTR2A (0.47) HTR2AGPR84PCSK9ALKBH5FTO
SCHEMBL19984039 0.79 GPR84 (0.50) HTR2AGPR84ALKBH5FTOMPO
SCHEMBL19983754 0.78 HTR2A (0.45) HTR2AGPR84PCSK9ALKBH5FTO
SCHEMBL19983976 0.76 GPR84 (0.40) HTR2AGPR84PCSK9CHRNB2CHRNA7

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