SCHEMBL6288992

SCHEMBL6288992

COc1cc2cc(C(=O)O)sc2cc1OC.Nc1ccccc1N

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 12/20 0.56
ACHE P22303 5/20 0.50
BCL2L1 Q07817 1/20 0.50
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
GPR35 Q9HC97 1/20 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
Anthranilamide SCHEMBL6288989 0.90 STING1 (0.49) STING1ACHEBCL2L1
SCHEMBL1589579 0.88 STING1 (0.68) STING1ACHEHDAC3HDAC4HDAC1
SCHEMBL16396077 0.85 STING1 (0.54) STING1HDAC3HDAC4HDAC1HDAC7
SCHEMBL30417131 0.82 SRD5A1 (0.57) STING1ACHE
SCHEMBL30449069 0.82 SRD5A1 (0.57) STING1ACHE
SCHEMBL23480428 0.82 SRD5A1 (0.57) STING1ACHE
SCHEMBL21405928 0.82 SRD5A1 (0.57) STING1ACHE
SCHEMBL6288990 0.81 HDAC1 (0.51) STING1ACHEHDAC3HDAC4HDAC1
SCHEMBL6284804 0.81 CA2 (0.49) BCL2L1
SCHEMBL31081089 0.79 STING1 (0.60) STING1

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
JP-2005508311-A 2005-03-31 JP claimed
EP-1416928-A2 N-MONOACYLATED DERIVATIVES OF O-PHENYLENEDIAMINES, THEIR SIX MEMBERED HETEROCYCLIC ANALOGUES AND THEIR USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-05-12 EP claimed
WO-2003013484-A2 N-MONOACYLATED DERIVATIVES OF O-PHENYLENEDIAMINES, THEIR SIX MEMBERED HETEROCYCLIC ANALOGUES AND THEIR USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2003-02-20 WO claimed