SCHEMBL29636388

SCHEMBL29636388

COC(=O)c1cc2cc(OC)c(Br)cc2s1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 15/20 0.61
HDAC1 Q13547 2/20 0.57
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
PTPN2 P17706 2/20 0.55
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL20022239 1.00 STING1 (0.61) STING1HDAC1HDAC3HDAC4HDAC7
SCHEMBL20563177 0.94 STING1 (0.61) STING1HDAC1HDAC3HDAC4HDAC7
SCHEMBL20022241 0.89 STING1 (0.66) STING1HDAC1HDAC3HDAC4HDAC7
SCHEMBL1590372 0.87 STING1 (0.61) STING1HDAC1HDAC3HDAC4HDAC7
SCHEMBL20022240 0.85 STING1 (0.61) STING1HDAC1HDAC3HDAC4HDAC7
SCHEMBL20338887 0.85 PTPN2 (0.53) STING1HDAC1HDAC3HDAC4HDAC7
SCHEMBL20022261 0.83 STING1 (0.66) STING1HDAC1HDAC3HDAC4HDAC7
SCHEMBL29636423 0.83 STING1 (0.66) STING1HDAC1HDAC3HDAC4HDAC7
SCHEMBL21452706 0.82 STING1 (0.80) STING1HDAC1HDAC3HDAC4HDAC7
SCHEMBL16396262 0.82 PTPN2 (0.55) STING1HDAC1HDAC3HDAC4HDAC7

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
CN-110036001-B Benzo [ b ] thiophene compounds as STING agonists 默沙东公司 2022-03-22 CN disclosed