SCHEMBL19984167

SCHEMBL19984167

CNCc1c[nH]c2cc(Nc3ccc(C#N)cc3C)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.42
NR3C2 P08235 2/20 0.42
PGR P06401 1/20 0.42
CDK2 P24941 3/20 0.41
SLC6A4 P31645 5/20 0.37
LRRK2 Q5S007 3/20 0.37
CSNK1D P48730 2/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
BCHE P06276 1/20 0.36
CSNK1A1 P48729 1/20 0.34
GSK3B P49841 1/20 0.34
CSNK1G2 P78368 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL19983711 0.88 CDK2 (0.40) NR3C1NR3C2PGRCDK2SLC6A4
SCHEMBL19983952 0.88 ABCC9 (0.40) NR3C1NR3C2PGRCDK2SLC6A4
SCHEMBL19984005 0.86 HTR2A (0.44) NR3C1NR3C2CHRNB2CHRNA7CHRNA4
SCHEMBL19984116 0.85 CDK2 (0.44) NR3C1NR3C2PGRCDK2SLC6A4
SCHEMBL19983867 0.84 HTR2C (0.42) SLC6A4CHRNB2CHRNA7CHRNA4MEN1
SCHEMBL19984197 0.84 GPR84 (0.49) SLC6A4CHRNB2CHRNA7CHRNA4
SCHEMBL19983891 0.84 GPR84 (0.49) NR3C1SLC6A4CHRNB2CHRNA7CHRNA4
SCHEMBL19984215 0.82 GAA (0.47) CDK2MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL19983847 0.82 TBXAS1 (0.42) NR3C1NR3C2CDK2SLC6A4CHRNB2
SCHEMBL19983944 0.80 GPR84 (0.40) NR3C1CHRNB2CHRNA7CHRNA4

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