SCHEMBL4713060

SCHEMBL4713060

Cc1ccc(C(=O)O)c(/C=C/c2ccccc2Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
TRPA1 O75762 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
MAPT P10636 4/20 0.43
NPC1 O15118 4/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
FGFR1 P11362 1/20 0.43
FGFR3 P22607 1/20 0.43
MAPK1 P28482 2/20 0.41
POLB P06746 2/20 0.41
APAF1 O14727 1/20 0.41
USP2 O75604 1/20 0.41
UBE2N P61088 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP1A1 P04798 2/20 0.41
CYP1B1 Q16678 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAOB P27338 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
SCHEMBL4713064 1.00 RAB9A (0.46) RAB9ASMN1; SMN2TRPA1TRPM8MAPT
SCHEMBL4710531 0.83 TSHR (0.44) RAB9ASMN1; SMN2MAPTNPC1KMT2A
SCHEMBL4710729 0.83 TSHR (0.44) RAB9ASMN1; SMN2MAPTNPC1KMT2A
SCHEMBL7267902 0.80 FGFR1 (0.44) RAB9ASMN1; SMN2TRPA1MAPTNPC1
SCHEMBL7262198 0.80 FGFR1 (0.44) RAB9ASMN1; SMN2MAPTNPC1KMT2A
SCHEMBL4714522 0.80 MEN1 (0.47) RAB9ASMN1; SMN2MAPTNPC1KMT2A
SCHEMBL4714523 0.80 MEN1 (0.47) RAB9ASMN1; SMN2MAPTNPC1KMT2A
SCHEMBL4710670 0.79 EPAS1 (0.47) SMN1; SMN2KMT2AALDH1A1
SCHEMBL4710673 0.79 EPAS1 (0.47) SMN1; SMN2KMT2AALDH1A1
SCHEMBL4710680 0.78 NPC1 (0.49) RAB9ASMN1; SMN2TRPA1TRPM8MAPT

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-A2 PYRIDINE DERIVATIVES Novartis AG (CH) 2000-05-10 EP claimed
WO-1999002497-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 1999-01-21 WO claimed
EP-0998459-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2008-04-23 EP 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