SCHEMBL3907347

SCHEMBL3907347

Nc1ccc(Oc2c(Br)cc(CC(F)C(=O)O)cc2Br)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 11/20 0.40
THRB P10828 11/20 0.40
LMNA P02545 1/20 0.40
PPARG P37231 1/20 0.38
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL3141253 0.90 ALDH1A1 (0.40) THRATHRBLMNAMAPTMEN1
SCHEMBL5858364 0.83 THRB (0.52) THRATHRBLMNAPPARG
SCHEMBL3913459 0.81 THRA (0.54) THRATHRBLMNAPOLB
SCHEMBL5859445 0.79 LMNA (0.42) THRATHRBLMNAMAPTTDP1
SCHEMBL27874611 0.78 ALDH1A1 (0.42) THRATHRBLMNAMAPTMEN1
SCHEMBL3909957 0.77 KMT2A (0.46) THRATHRBLMNAMAPTMEN1
SCHEMBL3910714 0.77 KMT2A (0.46) THRATHRBLMNAMAPTMEN1
SCHEMBL7114898 0.75 MAPT (0.43) LMNAMAPTTDP1MEN1POLB
SCHEMBL3911699 0.75 KMT2A (0.40) THRATHRBLMNAMAPTMEN1
SCHEMBL3910551 0.74 THRA (0.41) THRATHRBPPARG

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