SCHEMBL4648963

SCHEMBL4648963

CC(C)c1cc(Nc2cccc(C(F)(F)F)c2)ncc1CN(C)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
THRB P10828 1/20 0.45
PRKDC P78527 1/20 0.44
EGFR P00533 2/20 0.42
ERBB4 Q15303 1/20 0.42
GAA P10253 1/20 0.41
CNR2 P34972 4/20 0.41
AURKA O14965 3/20 0.40
IDH2 P48735 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CTSC P53634 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
PAX8 Q06710 1/20 0.38

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
SCHEMBL4649631 0.84 CNR2 (0.56) KDM4EPRKDCEGFRGAACNR2
SCHEMBL4649071 0.82 CNR2 (0.37) CNR2HPGD
SCHEMBL4648965 0.81 CNR2 (0.48) KDM4EMAPTMEN1KMT2ATHRB
SCHEMBL4650258 0.81 CNR2 (0.33) CNR2
SCHEMBL4649170 0.80 CNR2 (0.55) EGFRCNR2
SCHEMBL4649728 0.78 THRB (0.47) KDM4EMAPTMEN1KMT2ATHRB
SCHEMBL4649780 0.78 CNR2 (0.37) KDM4EMEN1KMT2ACNR2LMNA
SCHEMBL4649712 0.78 CNR2 (0.54) EGFRCNR2ALDH1A1
SCHEMBL4649775 0.78 CNR2 (0.40) MAPTMEN1KMT2ACNR2ALDH1A1
SCHEMBL4650376 0.73 CNR2 (0.71) CNR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1718613-B1 PYRIDINE DERIVATIVES AND THEIR USE AS CB2 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2008-09-03 EP disclosed