SCHEMBL9740694

SCHEMBL9740694

O=C(c1ccc(Br)c(Br)c1Br)C(O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
CES2 O00748 2/20 0.52
CES1 P23141 2/20 0.52
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 2/20 0.36
SRC P12931 2/20 0.35
CYP2D6 P10635 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 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
SCHEMBL28331328 0.86 CES2 (0.52) LMNACES2CES1MAPK1ALDH1A1
SCHEMBL28757972 0.85 LMNA (0.50) LMNACES2CES1MAPK1ALDH1A1
SCHEMBL972915 0.80 LMNA (0.57) LMNACES2CES1MAPK1ALDH1A1
SCHEMBL28868999 0.77 CES2 (0.50) LMNACES2CES1MAPK1ALDH1A1
SCHEMBL28831101 0.77 LMNA (0.49) LMNACES2CES1MAPK1ALDH1A1
SCHEMBL28271166 0.76 CES2 (0.47) LMNACES2CES1MAPK1ALDH1A1
SCHEMBL27428737 0.73 CES2 (0.49) LMNACES2CES1MAPK1ALDH1A1
SCHEMBL28137733 0.73 CES2 (0.49) LMNACES2CES1MAPK1ALDH1A1
SCHEMBL30783688 0.73 LMNA (0.49) LMNACES2CES1MAPK1ALDH1A1
SCHEMBL11382071 0.73 LMNA (0.57) LMNACES2CES1MAPK1ALDH1A1

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
EP-0365541-B1 PREPARATION OF 5-ACYLAMINO-2,4,6-TRIIODO- OR TRIBROMO-BENZOIC ACID DERIVATIVES BRACCO S.p.A. (IT) 1992-08-12 EP disclosed
EP-0365541-A1 PREPARATION OF 5-ACYLAMINO-2,4,6-TRIIODO- OR TRIBROMO-BENZOIC ACID DERIVATIVES. BRACCO IND CHIMICA SPA (IT) 1990-05-02 EP disclosed
WO-1988009328-A1 PREPARATION OF 5-ACYLAMINO-2,4,6-TRIIODO- OR TRIBROMO-BENZOIC ACID DERIVATIVES BRACCO INDUSTRIA CHIMICA S.P.A. (IT) 1988-12-01 WO disclosed