SCHEMBL4713003

SCHEMBL4713003

Cc1ccc(OCC(=O)O)c(C=Cc2ccccc2Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 2/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
FGFR1 P11362 1/20 0.41
FGFR3 P22607 1/20 0.41
THRB P10828 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 1/20 0.40
CYP2C19 P33261 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
SCHEMBL4710664 1.00 PTGDR2 (0.45) PTGDR2KMT2AMEN1GAAKDM4E
SCHEMBL4711585 0.88 USP2 (0.49) KMT2AMEN1KDM4EPKMRAB9A
SCHEMBL4711587 0.88 USP2 (0.49) KMT2AMEN1KDM4EPKMRAB9A
SCHEMBL4710055 0.81 KMT2A (0.44) KMT2AMEN1GAAKDM4EHTT
SCHEMBL4710053 0.81 KMT2A (0.44) KMT2AMEN1GAAKDM4EHTT
SCHEMBL7267902 0.79 FGFR1 (0.44) KMT2AMEN1KDM4ERAB9ASMN1; SMN2
SCHEMBL4713060 0.77 RAB9A (0.46) KMT2AMEN1RAB9ASMN1; SMN2MAPT
SCHEMBL4713064 0.77 RAB9A (0.46) KMT2AMEN1RAB9ASMN1; SMN2MAPT
SCHEMBL4713933 0.76 ENPP2 (0.39) KMT2AMEN1GAAKDM4EMAPT
SCHEMBL4713931 0.76 ENPP2 (0.39) KMT2AMEN1GAAKDM4EMAPT

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 4 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