SCHEMBL4710683

SCHEMBL4710683

Cc1nc(C=Cc2ccccc2Cl)ccc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HSP90AA1 P07900 2/20 0.49
AGTR1 P30556 1/20 0.49
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
PIM1 P11309 3/20 0.45
TRPA1 O75762 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
RAB9A P51151 3/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43

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
SCHEMBL4710680 1.00 NPC1 (0.49) NPC1MEN1KMT2AHSP90AA1AGTR1
SCHEMBL4710682 0.83 MAPT (0.48) NPC1MEN1KMT2AHSP90AA1AGTR1
SCHEMBL4710678 0.83 MAPT (0.48) NPC1MEN1KMT2AHSP90AA1AGTR1
SCHEMBL4713060 0.78 RAB9A (0.46) NPC1MEN1KMT2AHSP90AA1ALDH1A1
SCHEMBL4713064 0.78 RAB9A (0.46) NPC1MEN1KMT2AHSP90AA1ALDH1A1
SCHEMBL4713250 0.76 MEN1 (0.50) NPC1MEN1KMT2AHSP90AA1AGTR1
SCHEMBL4713253 0.76 MEN1 (0.50) NPC1MEN1KMT2AHSP90AA1AGTR1
SCHEMBL10496414 0.75 ALDH1A1 (0.61) NPC1MEN1KMT2AHSP90AA1ALDH1A1
SCHEMBL9798058 0.75 ALDH1A1 (0.61) NPC1MEN1KMT2AHSP90AA1ALDH1A1
SCHEMBL3901458 0.72 GABRP (0.56) MEN1KMT2AALDH1A1SMN1; SMN2PIM1

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