SCHEMBL5509097

SCHEMBL5509097

O=S(=O)(O)c1c(Cl)[c]ccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.35
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
CASP1 P29466 1/20 0.31
RECQL P46063 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL693708 0.71 ALDH1A1 (0.31) ALDH1A1CYP3A4THRBHPGDALOX15
SCHEMBL693707 0.71
SCHEMBL440935 0.70 ALDH1A1 (0.44) CYP2C9ALDH1A1TSHR
Hydrochloric Acid SCHEMBL27552065 0.69 ALDH1A1 (0.42) CYP2C9ALDH1A1TSHR
SCHEMBL10936452 0.68 CES1 (0.30)
SCHEMBL10936449 0.68 MYC (0.33) ALDH1A1
SCHEMBL14395756 0.67 DPP4 (0.41) CYP2C9ALDH1A1CYP3A4THRBHPGD
SCHEMBL691616 0.67 TTR (0.37) TSHR
SCHEMBL539105 0.66
SCHEMBL2844949 0.65 NSD2 (0.39) CYP2C9ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1354007-B1 SINGLE-PHASE MIXED CRYSTALS OF LAKED MONOAZO DYES CIBA SC HOLDING AG (CH) 2007-02-14 EP disclosed
US-6913640-B2 Single-phase mixed crystals of laked monoazo dyes CIBA SPECIALTY CHEMICALS (US) 2005-07-05 US disclosed
US-20040087781-A1 Single-phase mixed crystals of laked monoazo dyes CIBA SPECIALTY CHEMICALS CORP. 2004-05-06 US disclosed
EP-1354007-A1 SINGLE-PHASE MIXED CRYSTALS OF LAKED MONOAZO DYES Ciba SC Holding AG (CH) 2003-10-22 EP disclosed
WO-2002059217-A1 SINGLE-PHASE MIXED CRYSTALS OF LAKED MONOAZO DYES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-08-01 WO disclosed