SCHEMBL4712968

SCHEMBL4712968

CC(=O)Oc1cccc(C=Cc2cccc(C)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
ALDH1A1 P00352 4/20 0.55
MEN1 O00255 4/20 0.55
CYP3A4 P08684 3/20 0.55
NPC1 O15118 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
KDM4E B2RXH2 2/20 0.55
RAB9A P51151 2/20 0.55
HPGD P15428 2/20 0.55
GRM5 P41594 1/20 0.55
GRM4 Q14833 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
PKM P14618 1/20 0.55
TSHR P16473 1/20 0.55
NFKB1 P19838 1/20 0.55
CYP2C19 P33261 1/20 0.55
THPO P40225 1/20 0.55

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
SCHEMBL4712966 1.00 KMT2A (0.55) KMT2AALDH1A1MEN1CYP3A4NPC1
SCHEMBL4710792 0.81 ALDH1A1 (0.63) KMT2AALDH1A1MEN1CYP3A4NPC1
SCHEMBL4710793 0.81 ALDH1A1 (0.63) KMT2AALDH1A1MEN1CYP3A4NPC1
SCHEMBL10402603 0.81 CYSLTR2 (0.67) KMT2AALDH1A1MEN1NPC1SMN1; SMN2
SCHEMBL10402601 0.81 CYSLTR2 (0.67) KMT2AALDH1A1MEN1NPC1SMN1; SMN2
SCHEMBL4710988 0.80 JUN (0.59) KMT2AALDH1A1MEN1NPC1SMN1; SMN2
SCHEMBL4710987 0.80 JUN (0.59) KMT2AALDH1A1MEN1NPC1SMN1; SMN2
SCHEMBL716894 0.79 KMT2A (0.60) KMT2AALDH1A1MEN1CYP3A4SMN1; SMN2
SCHEMBL716895 0.79 KMT2A (0.60) KMT2AALDH1A1MEN1CYP3A4SMN1; SMN2
SCHEMBL4711271 0.79 GRM4 (0.69) KMT2AALDH1A1MEN1CYP3A4NPC1

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