SCHEMBL4710057

SCHEMBL4710057

Cc1cccc(C=Cc2ccc(NC(=O)CCC(=O)O)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
KDM4E B2RXH2 2/20 0.54
GRM5 P41594 1/20 0.54
GRM4 Q14833 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
PKM P14618 1/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
CYP2C19 P33261 1/20 0.54
THPO P40225 1/20 0.54

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
SCHEMBL4710056 1.00 KMT2A (0.54) KMT2AMEN1SMN1; SMN2ALDH1A1NPC1
SCHEMBL4715210 0.88 KMT2A (0.51) KMT2AMEN1SMN1; SMN2ALDH1A1NPC1
SCHEMBL4715212 0.88 KMT2A (0.51) KMT2AMEN1SMN1; SMN2ALDH1A1NPC1
SCHEMBL4715215 0.88 KMT2A (0.51) KMT2AMEN1SMN1; SMN2ALDH1A1NPC1
SCHEMBL4713462 0.85 NPC1 (0.52) KMT2AMEN1SMN1; SMN2ALDH1A1NPC1
SCHEMBL4713464 0.85 NPC1 (0.52) KMT2AMEN1SMN1; SMN2ALDH1A1NPC1
SCHEMBL4711830 0.84 RAB9A (0.56) KMT2AMEN1SMN1; SMN2ALDH1A1NPC1
SCHEMBL4711829 0.84 RAB9A (0.56) KMT2AMEN1SMN1; SMN2ALDH1A1NPC1
SCHEMBL4713138 0.77 ALDH1A1 (0.43) KMT2AMEN1SMN1; SMN2ALDH1A1NPC1
SCHEMBL4713693 0.77 RAB9A (0.51) KMT2AMEN1SMN1; SMN2ALDH1A1NPC1

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-0998459-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2008-04-23 EP claimed
EP-0998459-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2008-04-23 EP disclosed
CN-1203060-C Pyridine derivatives, compositions and uses thereof NOVARTIS AG (CH) 2005-05-25 CN disclosed
US-6656957-B1 Marked and selective modulating, especially antagonistic, action at human metabotropic glutamate receptors (mGluRs); treatment of disorders such as epilepsy, cerebral ischemias, especially acute ischemias, spasticity etc. NOVARTIS AG (CH) 2003-12-02 US disclosed
CN-1262676-A Pyridine derivatives NOVARTIS AG (CH) 2000-08-09 CN disclosed