SCHEMBL29443028

SCHEMBL29443028

CCOC(=O)c1sc2cccc(Cl)c2c1-c1nc2cc(C(N)=O)ccc2n1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ STING1 Q86WV6 1/20 0.42
▸ HPGD P15428 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.39
▸ JAK2 O60674 4/20 0.39
▸ JAK1 P23458 4/20 0.39
▸ TYK2 P29597 4/20 0.39
▸ JAK3 P52333 4/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ LCK P06239 1/20 0.38
▸ MEN1 O00255 1/20 0.38

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
SCHEMBL22904893 1.00 KDM4E (0.52) KDM4EALDH1A1MAPK1L3MBTL1STING1
SCHEMBL22905022 0.93 KDM4E (0.52) KDM4EALDH1A1MAPK1L3MBTL1STING1
SCHEMBL29693898 0.93 KDM4E (0.52) KDM4EALDH1A1MAPK1L3MBTL1STING1
SCHEMBL29443113 0.93 KDM4E (0.52) KDM4EALDH1A1MAPK1L3MBTL1STING1
SCHEMBL24772450 0.92 KDM4E (0.51) KDM4EALDH1A1MAPK1L3MBTL1STING1
SCHEMBL24771133 0.91 KDM4E (0.49) KDM4EALDH1A1MAPK1L3MBTL1STING1
SCHEMBL24771130 0.91 KDM4E (0.49) KDM4EALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL22904894 0.88 MCL1 (0.43) KDM4EALDH1A1MAPK1L3MBTL1STING1
SCHEMBL29443069 0.88 MCL1 (0.43) KDM4EALDH1A1MAPK1L3MBTL1STING1
SCHEMBL22909073 0.83 JAK2 (0.46) KDM4EALDH1A1MAPK1L3MBTL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114206880-B Benzothiophene, thienopyridine and thienopyrimidine derivatives for modulating STING CTXT私人有限公司 2024-12-06 — — CN disclosed
EP-3999184-A1 BENZOTHIOPHENE, THIENOPYRIDINE AND THIENOPYRIMIDINE DERIVATIVES FOR THE MODULATION OF STING CTXT Pty Limited (AU) 2022-05-25 — — EP disclosed
CN-114206880-A Benzothiophene, thienopyridine, and thienopyrimidine derivatives for modulation of STING CTXT私人有限公司 2022-03-18 — — CN disclosed
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