SCHEMBL6892230

SCHEMBL6892230

Cc1cc(SCC(=O)O)nc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.77
CYP2C19 P33261 1/20 0.77
HPGD P15428 3/20 0.68
LMNA P02545 3/20 0.68
KMT2A Q03164 7/20 0.67
MAPT P10636 5/20 0.67
MEN1 O00255 4/20 0.67
KDM4E B2RXH2 3/20 0.67
GAA P10253 3/20 0.67
ALDH1A1 P00352 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
POLB P06746 2/20 0.67
RECQL P46063 2/20 0.67
HTT P42858 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
NSD2 O96028 1/20 0.67
APEX1 P27695 1/20 0.67
RXFP1 Q9HBX9 4/20 0.64
TP53 P04637 2/20 0.64
THRB P10828 1/20 0.64

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
Silver SCHEMBL11064940 0.87 CYP2C9 (0.71) CYP2C9CYP2C19HPGDLMNAKMT2A
SCHEMBL9821782 0.86 CYP2C9 (0.70) CYP2C9CYP2C19HPGDLMNAKMT2A
SCHEMBL3862194 0.82 HPGD (0.76) CYP2C9CYP2C19HPGDLMNAKMT2A
SCHEMBL5803966 0.79 CYP2C9 (0.60) CYP2C9CYP2C19HPGDLMNAKMT2A
SCHEMBL3455097 0.77 RXFP1 (0.64) CYP2C9CYP2C19HPGDLMNAKMT2A
SCHEMBL5027088 0.77 MAPT (0.63) CYP2C9CYP2C19HPGDLMNAKMT2A
SCHEMBL7936194 0.77 MAPT (0.73) CYP2C9CYP2C19HPGDLMNAKMT2A
SCHEMBL12259180 0.76 ALDH1A1 (0.85) CYP2C9CYP2C19HPGDLMNAKMT2A
SCHEMBL7262273 0.75 RXFP1 (0.58) CYP2C9CYP2C19HPGDLMNAKMT2A
SCHEMBL1613311 0.74 PRNP (1.00) HPGDLMNAKMT2AMAPTMEN1

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
US-20040082079-A1 Low affinity screening method GRAFFINITY PHARMACEUTICALS AG. (DE) 2004-04-29 US disclosed
EP-1360489-A1 LOW AFFINITY SCREENING METHOD Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2003-11-12 EP disclosed
WO-2002063299-A1 LOW AFFINITY SCREENING METHOD GRAFFINITY PHARMACEUTICALS AG (DE) 2002-08-15 WO disclosed