SCHEMBL29636404

SCHEMBL29636404

COc1cc2sc(C(=O)Cl)cc2cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 19/20 0.67
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48

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
SCHEMBL20022236 1.00 STING1 (0.67) STING1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1590345 0.89 STING1 (0.61) STING1HDAC3HDAC4HDAC1HDAC7
SCHEMBL29636424 0.88 STING1 (0.71) STING1HDAC3HDAC4HDAC1HDAC7
SCHEMBL20022235 0.88 STING1 (0.71) STING1HDAC3HDAC4HDAC1HDAC7
SCHEMBL20022234 0.86 STING1 (0.65) STING1HDAC3HDAC4HDAC1HDAC7
SCHEMBL29636383 0.86 STING1 (0.65) STING1HDAC3HDAC4HDAC1HDAC7
SCHEMBL20022264 0.83 STING1 (0.64) STING1HDAC3HDAC4HDAC1HDAC7
SCHEMBL21452735 0.83 STING1 (0.49) STING1HDAC3HDAC4HDAC1HDAC7
SCHEMBL29636390 0.83 STING1 (0.64) STING1HDAC3HDAC4HDAC1HDAC7
SCHEMBL20026418 0.82 STING1 (0.61) STING1HDAC3HDAC4HDAC1HDAC7

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