SCHEMBL19983758

SCHEMBL19983758

CNCc1c[nH]c2cc(Nc3cc(F)c(C(F)(F)F)cc3F)ccc12

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.37
CHRNB2 P17787 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
HTR2A P28223 3/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
AR P10275 4/20 0.34
ALKBH5 Q6P6C2 3/20 0.34
FTO Q9C0B1 3/20 0.34
APP P05067 2/20 0.33
TBXAS1 P24557 1/20 0.33
MPO P05164 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
SCHEMBL19984124 0.88 GPR84 (0.42) GPR84CHRNB2CHRNA7CHRNA4HTR2A
SCHEMBL19983849 0.85 GPR84 (0.40) GPR84CHRNB2CHRNA7CHRNA4HTR2A
SCHEMBL19983989 0.84 GPR84 (0.46) GPR84CHRNB2CHRNA7CHRNA4HTR2A
SCHEMBL19984128 0.84 TBXAS1 (0.42) GPR84CHRNB2CHRNA7CHRNA4HTR2A
SCHEMBL19983748 0.81 GPR84 (0.50) GPR84CHRNB2CHRNA7CHRNA4HTR2A
SCHEMBL19983944 0.81 GPR84 (0.40) GPR84CHRNB2CHRNA7CHRNA4HTR2A
SCHEMBL19984003 0.81 GPR84 (0.50) GPR84CHRNB2CHRNA7CHRNA4HTR2A
SCHEMBL19983905 0.81 GPR84 (0.45) GPR84CHRNB2CHRNA7CHRNA4HTR2A
SCHEMBL19983754 0.81 HTR2A (0.45) GPR84CHRNB2CHRNA7CHRNA4HTR2A
SCHEMBL19984116 0.80 CDK2 (0.44) SLC6A4AR

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