SCHEMBL21606323

SCHEMBL21606323

COC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)CN2C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
MAPT P10636 4/20 0.49
TP53 P04637 2/20 0.48
STING1 Q86WV6 3/20 0.47
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TSHR P16473 1/20 0.44
MAPK14 Q16539 2/20 0.44
ACHE P22303 1/20 0.42
MEN1 O00255 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL21606290 0.89 MAPT (0.51) SMN1; SMN2MAPTTP53STING1ALDH1A1
SCHEMBL21905562 0.84 SMN1; SMN2 (0.51) SMN1; SMN2MAPTTP53STING1ALDH1A1
SCHEMBL21606302 0.84 STING1 (0.51) SMN1; SMN2MAPTTP53STING1ALDH1A1
SCHEMBL18864285 0.83 SMN1; SMN2 (0.72) SMN1; SMN2MAPTTP53STING1ALDH1A1
SCHEMBL22000590 0.83 STING1 (0.49) SMN1; SMN2MAPTTP53STING1ALDH1A1
SCHEMBL21606289 0.82 STING1 (0.53) SMN1; SMN2MAPTTP53STING1ALDH1A1
SCHEMBL21606311 0.81 GSK3B (0.49) SMN1; SMN2MAPTTP53ALDH1A1KMT2A
SCHEMBL21990130 0.81 CA12 (0.53) SMN1; SMN2MAPTTP53STING1ALDH1A1
SCHEMBL21932342 0.80 STING1 (0.72) SMN1; SMN2MAPTTP53STING1ALDH1A1
SCHEMBL21932446 0.80 STING1 (0.72) SMN1; SMN2MAPTTP53STING1ALDH1A1

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
WO-2019243823-A1 AZAHETEROCYCLIC SMALL MOLECULE MODULATORS OF HUMAN STING CURADEV PHARMA LIMITED (GB) 2019-12-26 WO disclosed