SCHEMBL19983972

SCHEMBL19983972

CNCc1c[nH]c2cc(Cc3ccc(Cl)nc3Cl)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.40
SLC6A4 P31645 4/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A3 Q01959 3/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
CYP3A4 P08684 3/20 0.36
CYP2C19 P33261 2/20 0.36
ASH1L Q9NR48 1/20 0.35
CYP2D6 P10635 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
CYP2C9 P11712 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33
HTT P42858 1/20 0.33
PNP P00491 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
SCHEMBL19983976 0.89 GPR84 (0.40) GPR84SLC6A4SLC6A2SLC6A3CHRNB2
SCHEMBL19983815 0.86 CYP2C9 (0.43) GPR84SLC6A4SLC6A2SLC6A3CHRNB2
SCHEMBL19983829 0.79 HTR2A (0.44) GPR84SLC6A4SLC6A2SLC6A3CHRNB2
SCHEMBL19983894 0.79 GPR84 (0.39) GPR84SLC6A4CHRNB2CHRNA7CHRNA4
SCHEMBL19984039 0.78 GPR84 (0.50) GPR84SLC6A4SLC6A2SLC6A3HTR1A
SCHEMBL19984044 0.77 GPR84 (0.40) GPR84CHRNB2CHRNA7CHRNA4CYP3A4
SCHEMBL19983786 0.75 SLC6A4 (0.43) GPR84SLC6A4SLC6A2SLC6A3CHRNB2
SCHEMBL19983967 0.75 GPR84 (0.47) GPR84SLC6A4SLC6A2SLC6A3CHRNB2
SCHEMBL19984035 0.75 HTR2A (0.47) GPR84CHRNB2CHRNA7CHRNA4ASH1L
SCHEMBL19984023 0.74 HTR2A (0.47) GPR84SLC6A4SLC6A2SLC6A3CHRNB2

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