SCHEMBL30697678

SCHEMBL30697678

NC(=O)c1ccc(OCc2c(C(=O)O)sc3cccc(Cl)c23)cc1F

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 15/20 0.76
MCL1 Q07820 3/20 0.50
PARP10 Q53GL7 2/20 0.48
PARP15 Q460N3 1/20 0.48
PARP14 Q460N5 1/20 0.45
MAPK1 P28482 1/20 0.44

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
SCHEMBL23635813 1.00 STING1 (0.76) STING1MCL1PARP10PARP15PARP14
SCHEMBL26778207 0.89 STING1 (0.60) STING1PARP10PARP15PARP14
SCHEMBL23630791 0.89 STING1 (0.65) STING1MCL1MAPK1
SCHEMBL23630792 0.88 STING1 (0.67) STING1MCL1PARP10PARP15
SCHEMBL30765111 0.88 STING1 (0.79) STING1MCL1PARP15MAPK1
SCHEMBL23111988 0.88 STING1 (0.79) STING1MCL1PARP15MAPK1
SCHEMBL30697680 0.88 STING1 (0.62) STING1MCL1PARP10PARP15PARP14
SCHEMBL23635887 0.88 STING1 (0.62) STING1MCL1PARP10PARP15PARP14
SCHEMBL23630799 0.86 STING1 (1.00) STING1MCL1PARP10PARP15PARP14
SCHEMBL23635897 0.85 STING1 (0.78) STING1MCL1PARP10PARP15MAPK1

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-3793988-B1 SUBSTITUTED CONDENSED THIOPHENES AS MODULATORS OF STING CTXT PTY LTD (AU) 2023-11-15 EP disclosed