SCHEMBL19983952

SCHEMBL19983952

CCc1cc(C#N)ccc1Nc1ccc2c(CNC)c[nH]c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
KCNJ8 Q15842 1/20 0.40
CDK2 P24941 3/20 0.40
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
NR3C2 P08235 1/20 0.39
BCHE P06276 1/20 0.37
CFTR P13569 1/20 0.37
SLC6A4 P31645 7/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 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
SCHEMBL19984167 0.88 NR3C1 (0.42) CDK2NR3C1PGRNR3C2BCHE
SCHEMBL19983711 0.87 CDK2 (0.40) CDK2NR3C1PGRNR3C2BCHE
SCHEMBL19984116 0.84 CDK2 (0.44) CDK2NR3C1PGRNR3C2BCHE
SCHEMBL19984005 0.75 HTR2A (0.44) NR3C1NR3C2MAPTSMN1; SMN2CHRNB2
SCHEMBL19983858 0.74 GPR84 (0.40) CFTRCHRNB2CHRNA7CHRNA4KCNH2
SCHEMBL19984003 0.74 GPR84 (0.50) CHRNB2CHRNA7CHRNA4
SCHEMBL19983771 0.74 CHRNB2 (0.38) CFTRCHRNB2CHRNA7CHRNA4
SCHEMBL19984124 0.74 GPR84 (0.42) CFTRMEN1KMT2ACHRNB2CHRNA7
SCHEMBL19984197 0.74 GPR84 (0.49) SLC6A4CHRNB2CHRNA7CHRNA4SLC6A3
SCHEMBL19983751 0.74 GPR84 (0.40) NR3C1CFTRMEN1KMT2ACHRNB2

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