SCHEMBL19984283

SCHEMBL19984283

CNCc1c[nH]c2cc(-c3ccc(C)cc3F)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.47
GPR84 Q9NQS5 3/20 0.41
FEN1 P39748 1/20 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
SSTR3 P32745 1/20 0.36
MPO P05164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDO2 P48775 1/20 0.36
PDE9A O76083 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
SCHEMBL19984170 0.85 HTR2A (0.44) HTR2AGPR84PCSK9ALKBH5FTO
SCHEMBL3281375 0.82 HTR2A (0.61) HTR2AGPR84PCSK9ALKBH5FTO
SCHEMBL19984023 0.80 HTR2A (0.47) HTR2AGPR84PCSK9ALKBH5FTO
SCHEMBL19983754 0.78 HTR2A (0.45) HTR2AGPR84PCSK9ALKBH5FTO
SCHEMBL31415127 0.75 GPR84 (0.72) HTR2AGPR84ALKBH5FTOCHRNB2
SCHEMBL19984287 0.73 MAPT (0.45) HTR2AGPR84CHRNB2CHRNA7CHRNA4
SCHEMBL23456044 0.73 HTR1D (0.61) HTR2AGPR84PCSK9FTOHTR1D
SCHEMBL19984035 0.73 HTR2A (0.47) HTR2AGPR84PCSK9ALKBH5FTO
SCHEMBL19983953 0.73 GPR84 (0.43) HTR2AGPR84CHRNB2CHRNA7CHRNA4
SCHEMBL19984000 0.72 HTR2A (0.46) HTR2AGPR84PCSK9ALKBH5FTO

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