SCHEMBL6530359

SCHEMBL6530359

COS(=O)(=O)c1ccc2cc(N)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 3/20 0.42
HSD17B10 Q99714 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HBB P68871 1/20 0.41
HIF1A Q16665 1/20 0.41
LMNA P02545 3/20 0.40
NSD2 O96028 1/20 0.40
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
CASP6 P55212 1/20 0.40
PTPN11 Q06124 1/20 0.40
PLAU P00749 1/20 0.40
NT5E P21589 1/20 0.40
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40

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
SCHEMBL9147485 0.88 L3MBTL1 (0.46) HSD17B10TDP1CASP1LMNAPLAU
SCHEMBL29732529 0.81 L3MBTL1 (0.57) ALDH1A1TDP1LMNAF2PRSS1
SCHEMBL3633735 0.81 L3MBTL1 (0.57) ALDH1A1TDP1LMNAF2PRSS1
SCHEMBL1459151 0.80 TSHR (0.54) HTR6ALDH1A1CYP3A4TDP1LMNA
SCHEMBL10484185 0.79 AKR1C3 (0.49) HTR6ALDH1A1CYP3A4HSD17B10TDP1
SCHEMBL15352702 0.78 CYP2A6 (0.42) ALDH1A1TDP1LMNAF2PRSS1
SCHEMBL16467640 0.78 CYP1A2 (0.42) TDP1LMNAPLAUF2PRSS1
SCHEMBL16467682 0.78 CYP2A6 (0.42) ALDH1A1CYP3A4TDP1LMNAF2
SCHEMBL27505756 0.77 GAA (0.42) ALDH1A1CYP3A4HSD17B10TDP1ALOX15
SCHEMBL877752 0.77 LMNA (0.61) HTR6ALDH1A1CYP3A4HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2739732-A2 FUNCTIONALIZATION AND PURIFICATION OF MOLECULES BY REVERSIBLE GROUP EXCHANGE Illumina, Inc. (US) 2014-06-11 EP disclosed
WO-2013137922-A2 FUNCTIONALIZATION AND PURIFICATION OF MOLECULES BY REVERSIBLE GROUP EXCHANGE ILLUMINA, INC. (US) 2013-09-19 WO disclosed
EP-1583972-A2 CAPTURE COMPOUNDS, COLLECTIONS THEREOF AND METHODS FOR ANALYZING THE PROTEOME AND COMPLEX COMPOSITIONS HK Pharmaceuticals, Inc. (US) 2005-10-12 EP disclosed
WO-2004064972-A9 CAPTURE COMPOUNDS, COLLECTIONS THEREOF AND METHODS FOR ANALYZING THE PROTEOME AND COMPLEX COMPOSITIONS HK PHARMACEUTICALS INC (US) 2004-09-16 WO disclosed
WO-2004064972-A2 CAPTURE COMPOUNDS, COLLECTIONS THEREOF AND METHODS FOR ANALYZING THE PROTEOME AND COMPLEX COMPOSITIONS HK PHARMACEUTICALS, INC. (US) 2004-08-05 WO disclosed
EP-1439910-A2 SYSTEM AND METHODS FOR MIXING WITHIN A MICROFLUIDIC DEVICE Motorola, Inc. (US) 2004-07-28 EP disclosed
WO-2003093168-A2 SYSTEM AND METHODS FOR MIXING WITHIN A MICROFLUIDIC DEVICE MOTOROLA, INC. (US) 2003-11-13 WO disclosed
WO-2003076666-A1 COMPOSITIONS AND METHODS FOR DETECTING NUCLEIC ACID METHYLATION NAXCOR (US) 2003-09-18 WO disclosed
US-6268158-B1 GENERATING THERMAL DENATURATION CURVE 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-07-31 US disclosed
EP-0914608-A1 MICROPLATE THERMAL SHIFT ASSAY AND APPARATUS FOR LIGAND DEVELOPMENT AND MULTI-VARIABLE PROTEIN CHEMISTRY OPTIMIZATION 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-05-12 EP disclosed
WO-1997042500-A1 MICROPLATE THERMAL SHIFT ASSAY AND APPARATUS FOR LIGAND DEVELOPMENT AND MULTI-VARIABLE PROTEIN CHEMISTRY OPTIMIZATION 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1997-11-13 WO disclosed