SCHEMBL19983884

SCHEMBL19983884

CNCc1c[nH]c2cc(Nc3c(F)cc(F)cc3Br)ccc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 5/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
HTR2A P28223 2/20 0.38
MPO P05164 2/20 0.36
HTR1A P08908 1/20 0.34
APP P05067 2/20 0.34
HTR6 P50406 1/20 0.34
NR3C1 P04150 1/20 0.33
ALKBH5 Q6P6C2 2/20 0.33
FTO Q9C0B1 2/20 0.33
HTR2C P28335 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 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
SCHEMBL19984243 0.92 GPR84 (0.46) GPR84CHRNB2CHRNA7CHRNA4HTR2A
SCHEMBL19983876 0.91 CHRNB2 (0.43) GPR84CHRNB2CHRNA7CHRNA4HTR2A
SCHEMBL19984146 0.87 CHRNB2 (0.46) GPR84CHRNB2CHRNA7CHRNA4HTR2A
SCHEMBL19983984 0.86 GPR84 (0.41) GPR84CHRNB2CHRNA7CHRNA4HTR2A
SCHEMBL19983983 0.83 GPR84 (0.44) GPR84CHRNB2CHRNA7CHRNA4HTR2A
SCHEMBL19983765 0.82 GPR84 (0.43) GPR84CHRNB2CHRNA7CHRNA4HTR2A
SCHEMBL19983887 0.82 GPR84 (0.43) GPR84CHRNB2CHRNA7CHRNA4HTR2A
SCHEMBL19984242 0.81 HTR2A (0.44) GPR84CHRNB2CHRNA7CHRNA4HTR2A
SCHEMBL19984119 0.80 GPR84 (0.53) GPR84CHRNB2CHRNA7CHRNA4HTR2A
SCHEMBL19984003 0.80 GPR84 (0.50) GPR84CHRNB2CHRNA7CHRNA4HTR2A

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