SCHEMBL3983376

SCHEMBL3983376

CC(C)N(C(=O)c1nc2cc(Oc3c(Br)cc(CC(F)C(=O)O)cc3Br)ccc2[nH]1)C(C)C.CC(C)NC(=O)C(F)Cc1cc(Br)c(Oc2ccc3[nH]c(C(=O)O)nc3c2)c(Br)c1.CCNC(=O)c1nc2cc(Oc3c(Br)cc(CC(F)C(=O)O)cc3Br)ccc2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRA P10827 8/20 0.32
THRB P10828 8/20 0.32
EGLN1 Q9GZT9 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
SCHEMBL3979489 0.86 EGLN1 (0.39) THRATHRBEGLN1
SCHEMBL3975144 0.86 THRB (0.37) THRATHRB
SCHEMBL4299054 0.86 THRA (0.38) THRATHRB
SCHEMBL3979612 0.84 THRA (0.40) THRATHRBEGLN1
SCHEMBL4297760 0.72 THRB (0.37) THRATHRB
SCHEMBL3981706 0.72 THRA (0.39) THRATHRB
SCHEMBL3985944 0.72 THRA (0.39) THRATHRB
SCHEMBL3981701 0.72 THRA (0.39) THRATHRB
SCHEMBL4531287 0.71 MEN1 (0.47) THRATHRB
SCHEMBL4299290 0.71 THRA (0.36) THRATHRB

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-2024336-A1 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2009-02-18 EP disclosed
WO-2007128492-A1 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2007-11-15 WO disclosed