SCHEMBL19983801

SCHEMBL19983801

CNCc1c[nH]c2cc(Cc3ccc(C)c(F)c3F)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.41
CHRNB2 P17787 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
ASH1L Q9NR48 1/20 0.36
MPO P05164 2/20 0.36
HTR2A P28223 3/20 0.35
HTR1A P08908 2/20 0.34
NR3C1 P04150 1/20 0.34
HTR6 P50406 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
SLC5A2 P31639 1/20 0.33

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
SCHEMBL19984023 0.82 HTR2A (0.47) GPR84CHRNB2CHRNA7CHRNA4ASH1L
SCHEMBL19984044 0.81 GPR84 (0.40) GPR84CHRNB2CHRNA7CHRNA4ASH1L
SCHEMBL19984036 0.80 LMNA (0.44) GPR84CHRNB2CHRNA7CHRNA4ASH1L
SCHEMBL19984039 0.79 GPR84 (0.50) GPR84MPOHTR2AHTR1AHTR6
SCHEMBL19984035 0.79 HTR2A (0.47) GPR84CHRNB2CHRNA7CHRNA4ASH1L
SCHEMBL19983751 0.78 GPR84 (0.40) GPR84CHRNB2CHRNA7CHRNA4MPO
SCHEMBL19983829 0.78 HTR2A (0.44) GPR84CHRNB2CHRNA7CHRNA4ASH1L
SCHEMBL19984189 0.77 BRD4 (0.38) GPR84CHRNB2CHRNA7CHRNA4HTR2A
SCHEMBL19983976 0.76 GPR84 (0.40) GPR84CHRNB2CHRNA7CHRNA4ASH1L
SCHEMBL31415127 0.75 GPR84 (0.72) GPR84CHRNB2CHRNA7CHRNA4MPO

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