SCHEMBL5135544

SCHEMBL5135544

CCn1c(NC(C)=O)nc2ccc(Oc3c(Br)cc(CC(F)C(=O)O)cc3Br)cc21.CCn1c(NC(C)=O)nc2ccc(Oc3c(Br)cc(OCC(=O)O)cc3Br)cc21.CCn1c(NS(C)(=O)=O)nc2ccc(Oc3c(Br)cc(CC(F)C(=O)O)cc3Br)cc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 4/20 0.37
POLB P06746 1/20 0.36
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RIPK1 Q13546 1/20 0.32
THRA P10827 6/20 0.32
THRB P10828 6/20 0.32
ROCK2 O75116 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31

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
SCHEMBL3137672 0.90 RAF1 (0.37) ACSS2RAF1BRAFTHRATHRB
SCHEMBL3142133 0.88 POLB (0.45) ACSS2POLBRAF1BRAFKDM4E
SCHEMBL3131649 0.85 POLB (0.48) ACSS2POLBRAF1BRAFKDM4E
SCHEMBL3136098 0.77 ACSS2 (0.35) ACSS2THRATHRB
SCHEMBL3128023 0.77 ACSS2 (0.35) ACSS2THRATHRB
SCHEMBL3130577 0.75 ACSS2 (0.40) ACSS2THRATHRB
SCHEMBL3140982 0.74 ACSS2 (0.37) ACSS2RAF1BRAFTHRATHRB
SCHEMBL3137120 0.73 POLB (0.46) ACSS2POLBRAF1BRAFKDM4E
SCHEMBL3131790 0.73 THRA (0.48) ACSS2POLBKDM4ERIPK1THRA
SCHEMBL3142258 0.73 THRA (0.36) ACSS2THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899309-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2008-03-19 EP disclosed
WO-2007003419-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2007-01-11 WO disclosed