SCHEMBL19983836

SCHEMBL19983836

CNCc1c[nH]c2cc(Nc3ccc(F)cc3Cl)cnc12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MPO P05164 2/20 0.38
SLC6A4 P31645 8/20 0.36
KDM4E B2RXH2 1/20 0.35
HTR2A P28223 6/20 0.35
KCNH2 Q12809 6/20 0.35
GPR84 Q9NQS5 2/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
ALOX15 P16050 2/20 0.34
MAPK1 P28482 1/20 0.33
HTR2C P28335 1/20 0.33
TDO2 P48775 1/20 0.33
CSF1R P07333 1/20 0.32

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
SCHEMBL19983970 0.90 SLC6A2 (0.38) SLC6A2SLC6A3SLC6A4GPR84MAPK1
SCHEMBL19984037 0.89 SLC6A2 (0.34) SLC6A2SLC6A3SLC6A4KDM4EMEN1
SCHEMBL19983841 0.82 SLC6A4 (0.43) SLC6A2SLC6A3SLC6A4HTR2AKCNH2
SCHEMBL19984030 0.82 GPR84 (0.48) SLC6A2SLC6A3MPOSLC6A4HTR2A
SCHEMBL19984249 0.79 TDO2 (0.41) SLC6A2SLC6A3MPOKDM4EHTR2A
SCHEMBL19984003 0.70 GPR84 (0.50) MPOHTR2AGPR84HTR2C
SCHEMBL19983715 0.69 HTR2A (0.42) KDM4EHTR2AGPR84
SCHEMBL19983891 0.69 GPR84 (0.49) MPOSLC6A4HTR2AGPR84HTR2C
SCHEMBL16626682 0.69 HTR6 (0.33) SLC6A2SLC6A3KDM4EMEN1GAA
SCHEMBL19983739 0.68 CHRNB2 (0.50) SLC6A4HTR2AKCNH2GPR84GAA

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