SCHEMBL21606289

SCHEMBL21606289

COC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)C(C)N2C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
ACHE P22303 1/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TP53 P04637 5/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
MAPK14 Q16539 1/20 0.41

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
SCHEMBL22000894 0.85 STING1 (0.72) STING1SMN1; SMN2MAPTALDH1A1TSHR
SCHEMBL31065605 0.85 STING1 (0.72) STING1SMN1; SMN2MAPTALDH1A1TSHR
SCHEMBL21932446 0.85 STING1 (0.72) STING1SMN1; SMN2MAPTALDH1A1TSHR
SCHEMBL21932342 0.85 STING1 (0.72) STING1SMN1; SMN2MAPTALDH1A1TSHR
SCHEMBL21606302 0.83 STING1 (0.51) STING1SMN1; SMN2MAPTALDH1A1TSHR
SCHEMBL21606275 0.82 STING1 (0.46) STING1SMN1; SMN2MAPTALDH1A1TSHR
SCHEMBL21905609 0.82 STING1 (0.46) STING1SMN1; SMN2MAPTALDH1A1TSHR
SCHEMBL21606323 0.82 SMN1; SMN2 (0.52) STING1SMN1; SMN2MAPTALDH1A1TSHR
SCHEMBL21990130 0.78 CA12 (0.53) STING1SMN1; SMN2MAPTALDH1A1TSHR
SCHEMBL21905562 0.77 SMN1; SMN2 (0.51) STING1SMN1; SMN2MAPTALDH1A1TSHR

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