SCHEMBL22909057

SCHEMBL22909057

CCOC(=O)c1sc2cccc(OC)c2c1CBr

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.54
GAA P10253 7/20 0.54
LMNA P02545 6/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
ALDH1A1 P00352 10/20 0.51
KDM4E B2RXH2 7/20 0.51
HPGD P15428 7/20 0.51
HSD17B10 Q99714 4/20 0.51
MAPK1 P28482 2/20 0.51
GLA P06280 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 6/20 0.48
NPC1 O15118 4/20 0.48
MEN1 O00255 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
RAB9A P51151 3/20 0.48
USP2 O75604 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TP53 P04637 2/20 0.46

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
SCHEMBL29513197 1.00 MAPT (0.54) MAPTGAALMNAL3MBTL1NPSR1
SCHEMBL30765073 0.90 ALDH1A1 (0.51) MAPTGAALMNAL3MBTL1NPSR1
SCHEMBL22908996 0.90 ALDH1A1 (0.51) MAPTGAALMNAL3MBTL1NPSR1
SCHEMBL22908985 0.85 ALDH1A1 (0.53) MAPTGAALMNAL3MBTL1NPSR1
SCHEMBL22909056 0.84 ALDH1A1 (0.55) MAPTGAALMNAL3MBTL1NPSR1
SCHEMBL29513048 0.84 ALDH1A1 (0.55) MAPTGAALMNAL3MBTL1NPSR1
SCHEMBL23112012 0.84 ALDH1A1 (0.69) MAPTGAALMNAL3MBTL1NPSR1
SCHEMBL22905016 0.84 ALDH1A1 (0.69) MAPTGAALMNAL3MBTL1NPSR1
SCHEMBL29443017 0.84 ALDH1A1 (0.69) MAPTGAALMNAL3MBTL1NPSR1
SCHEMBL23112085 0.83 ALDH1A1 (0.49) MAPTGAALMNAL3MBTL1NPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3999185-B1 BENZOTHIOPHENE, THIENOPYRIDINE AND THIENOPYRIMIDINE DERIVATIVES FOR THE MODULATION OF STING CTXT PTY LTD (AU) 2023-08-30 EP disclosed
WO-2021009365-A1 BENZOTHIOPHENE, THIENOPYRIDINE AND THIENOPYRIMIDINE DERIVATIVES FOR THE MODULATION OF STING CTXT PTY LIMITED (AU) 2021-01-21 WO disclosed