SCHEMBL4713014

SCHEMBL4713014

Cc1cc(O)nc(C=Cc2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.49
PTGS2 P35354 2/20 0.49
TTR P02766 1/20 0.49
ALOX5 P09917 1/20 0.49
PTGS1 P23219 1/20 0.49
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
GRM5 P41594 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MEN1 O00255 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL4713012 1.00 GRM4 (0.49) GRM4PTGS2TTRALOX5PTGS1
SCHEMBL10123059 0.87 GRM4 (0.56) GRM4PTGS2TTRALOX5PTGS1
SCHEMBL10123058 0.87 TTR (0.47) PTGS2TTRALOX5PTGS1ALDH1A1
SCHEMBL8101255 0.86 APP (0.46) PTGS2TTRALOX5PTGS1ALDH1A1
SCHEMBL8101251 0.86 APP (0.46) PTGS2TTRALOX5PTGS1ALDH1A1
SCHEMBL5789872 0.83 HRH4 (0.45) PTGS2ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL5789877 0.83 HRH4 (0.45) PTGS2ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL5791786 0.83 NFE2L2 (0.53) GRM4PTGS2PTGS1ALDH1A1KDM4E
SCHEMBL5791782 0.83 NFE2L2 (0.53) GRM4PTGS2PTGS1ALDH1A1KDM4E
SCHEMBL5788387 0.81 PTGS2 (0.54) PTGS2TTRALOX5PTGS1KDM4E

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-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
US-5376685-A Arylhydrazones using as SAMDC inhibitors CIBA-GEIGY CORPORATION (US) 1994-12-27 US disclosed
US-5238941-A S-adenosylmethionine decarboxylase inhibitors CIBA-GEIGY CORPORATION (US) 1993-08-24 US disclosed
EP-0335832-B1 ARYL HYDRAZONES CIBA-GEIGY AG (CH) 1993-02-10 EP disclosed
US-5118709-A Decarboxylase enzyme inhibitors; antitumor agents CIBA-GEIGY CORPORATION (US) 1992-06-02 US disclosed
US-4971986-A ANTITUMOR AGENTS CIBA-GEIGY CORPORATION (US) 1990-11-20 US disclosed
EP-0335832-A2 Aryl hydrazones CIBA-GEIGY AG (CH) 1989-10-04 EP disclosed