SCHEMBL19983877

SCHEMBL19983877

CNCc1c[nH]c2cc(Nc3ccc(Cl)nc3OC)ccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.36
HTR2A P28223 2/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1B Q00975 1/20 0.33
HTR6 P50406 1/20 0.33
PAK4 O96013 2/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
P2RX3 P56373 1/20 0.32
MAPK8 P45983 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
SCHEMBL19983880 0.88 MEN1 (0.36) GPR84HTR2ACHRNB2CHRNA7CHRNA4
SCHEMBL19983894 0.87 GPR84 (0.39) GPR84HTR2ACHRNB2CHRNA7CHRNA4
SCHEMBL19984194 0.87 GPR84 (0.39) GPR84HTR2ACHRNB2CHRNA7CHRNA4
SCHEMBL19983800 0.83 GPR84 (0.36) GPR84CHRNB2CHRNA7CHRNA4BCHE
SCHEMBL16626544 0.83 GPR84 (0.36) GPR84HTR2ACHRNB2CHRNA7CHRNA4
SCHEMBL19984147 0.82 CYP2D6 (0.36) GPR84HTR2ACHRNB2CHRNA7CHRNA4
SCHEMBL19984195 0.82 LRRK2 (0.41) HTR2ACHRNB2CHRNA7CHRNA4MEN1
SCHEMBL19984013 0.81 HTR2A (0.35) HTR2ACHRNB2CHRNA7CHRNA4MEN1
SCHEMBL19983898 0.78 CHRNB2 (0.38) GPR84HTR2ACHRNB2CHRNA7CHRNA4
SCHEMBL19983771 0.78 CHRNB2 (0.38) GPR84HTR2ACHRNB2CHRNA7CHRNA4

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