SCHEMBL2204065

SCHEMBL2204065

COc1ccccc1CNC(=O)C(N)=O

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.64
HPGD P15428 6/20 0.63
ALDH1A1 P00352 3/20 0.61
KDM4E B2RXH2 1/20 0.61
RCE1 Q9Y256 1/20 0.61
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
HTT P42858 2/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
HDAC1 Q13547 1/20 0.58
POLB P06746 1/20 0.58
GAA P10253 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
TSHR P16473 1/20 0.56
MAPT P10636 1/20 0.56

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
SCHEMBL1520822 0.87 NPSR1 (0.68) NPSR1HPGDALDH1A1KDM4ERCE1
SCHEMBL10163441 0.85 HPGD (0.65) NPSR1HPGDALDH1A1KDM4ERCE1
SCHEMBL169897 0.84 MTNR1A (0.70) HPGDALDH1A1KMT2AMEN1HTT
SCHEMBL8477018 0.83 HPGD (0.61) NPSR1HPGDALDH1A1KDM4ERCE1
SCHEMBL885000 0.81 MTNR1A (0.71) NPSR1HPGDALDH1A1KDM4ERCE1
SCHEMBL13434069 0.81 HPGD (0.69) NPSR1HPGDALDH1A1KDM4ERCE1
SCHEMBL2938380 0.81 KMT2A (0.69) NPSR1HPGDALDH1A1KDM4ERCE1
SCHEMBL4576228 0.80 HDAC3 (0.50) HDAC1
SCHEMBL5527432 0.80 KMT2A (0.60) NPSR1HPGDALDH1A1KDM4ERCE1
SCHEMBL4018757 0.80 NPSR1 (0.59) NPSR1HPGDALDH1A1KDM4ERCE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673085-A4 C-MET MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-12-10 EP claimed
EP-1673085-A2 C-MET MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-06-28 EP claimed
WO-2005030140-A2 C-MET MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-04-07 WO claimed
EP-2213661-B1 c-Met Modulators and Methods of Use EXELIXIS INC (US) 2011-07-20 EP disclosed
EP-1673085-A4 C-MET MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-12-10 EP disclosed
EP-1673085-A2 C-MET MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-06-28 EP disclosed
WO-2005030140-A2 C-MET MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-04-07 WO disclosed