SCHEMBL19984113

SCHEMBL19984113

CCc1cccc(Nc2ccc3c(CNC)c[nH]c3c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.41
CFTR P13569 1/20 0.40
GRM4 Q14833 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
HTR1A P08908 3/20 0.36
HTR1D P28221 2/20 0.36
HTR1B P28222 2/20 0.36
HTR6 P50406 1/20 0.36
ASH1L Q9NR48 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HTR2A P28223 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 5/20 0.35
MEN1 O00255 3/20 0.35
GPR84 Q9NQS5 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL19984002 0.84 CHRNB2 (0.51) RAPGEF4CHRNB2CHRNA7CHRNA4KMT2A
SCHEMBL19984000 0.80 HTR2A (0.46) CFTRCHRNB2CHRNA7CHRNA4HTR1A
SCHEMBL19984119 0.79 GPR84 (0.53) CHRNB2CHRNA7CHRNA4HTR1AHTR6
SCHEMBL19984216 0.78 GPR84 (0.48) CFTRCHRNB2CHRNA7CHRNA4HTR1A
SCHEMBL19983831 0.77 HTR2A (0.49) HTR6KDM4EALDH1A1HTR2AKMT2A
SCHEMBL19984088 0.77 HTR1D (0.50) CHRNB2CHRNA7CHRNA4HTR1AHTR1D
SCHEMBL19983833 0.77 SCN9A (0.44) CHRNB2CHRNA7CHRNA4HTR1AKDM4E
SCHEMBL19983845 0.76 TBXAS1 (0.44) KIF11CHRNB2CHRNA7CHRNA4HTR1A
SCHEMBL19984001 0.75 MAPK8 (0.48) CFTRCHRNB2CHRNA7CHRNA4HTR1A
SCHEMBL19983762 0.75 MAPT (0.42) CHRNB2CHRNA7CHRNA4KDM4EALDH1A1

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