SCHEMBL4712696

SCHEMBL4712696

Cc1cccc(/C=C/c2ccc(Cl)cc2)n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.71
RAB9A P51151 5/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
KDM4E B2RXH2 3/20 0.71
MEN1 O00255 3/20 0.71
KMT2A Q03164 3/20 0.71
ALDH1A1 P00352 2/20 0.71
NPSR1 Q6W5P4 2/20 0.71
GRM5 P41594 2/20 0.71
GRM4 Q14833 2/20 0.71
PKM P14618 2/20 0.71
NFKB1 P19838 2/20 0.71
HDAC6 Q9UBN7 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2D6 P10635 1/20 0.71
CYP2C9 P11712 1/20 0.71
HPGD P15428 1/20 0.71
TSHR P16473 1/20 0.71
CYP2C19 P33261 1/20 0.71
THPO P40225 1/20 0.71

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
SCHEMBL4712697 1.00 NPC1 (0.71) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL4711246 0.85 KDM4E (0.76) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL4711247 0.85 KDM4E (0.76) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL4713819 0.84 ALDH1A1 (0.64) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL4713818 0.84 ALDH1A1 (0.64) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL179801 0.83 GRM4 (1.00) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL350949 0.83 GRM4 (1.00) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL29510104 0.83 GRM4 (1.00) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL4711448 0.83 ALDH1A1 (0.67) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL4711449 0.83 ALDH1A1 (0.67) NPC1RAB9ASMN1; SMN2KDM4EMEN1

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-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
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