SCHEMBL14127307

SCHEMBL14127307

COC(=O)c1cc2cc(Cl)cc(C)c2[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.46
HRH4 Q9H3N8 5/20 0.43
IDH1 O75874 1/20 0.43
KDM4E B2RXH2 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
CHEK1 O14757 1/20 0.41
MAPT P10636 3/20 0.41
SERPINH1 P50454 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.38
ABL1 P00519 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL2306202 0.86 ALDH1A1 (0.55) HRH4KDM4EGLAGAAMAPT
SCHEMBL2310258 0.84 KDM4E (0.51) CNR2HRH4IDH1KDM4EGAA
SCHEMBL14115019 0.81 XDH (0.56) HRH4KDM4EGLAGAAMAPT
SCHEMBL14127119 0.79 CNR2 (0.45) CNR2KDM4EGLAGAACHEK1
SCHEMBL4743563 0.78 DAO (0.59) KDM4EGLAMAPTMEN1KMT2A
SCHEMBL14126804 0.77 CNR2 (0.46) CNR2KDM4EGLAGAACHEK1
SCHEMBL22502713 0.75 DAO (0.56) IDH1KDM4EGLAGAACHEK1
SCHEMBL3421507 0.75 DAO (0.58) HRH4IDH1
SCHEMBL2315591 0.75 ALDH1A1 (0.55) KDM4EGLAGAAMAPTMEN1
SCHEMBL17603509 0.75 ALDH1A1 (0.51) CNR2IDH1KDM4EGAAMAPT

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
WO-2012164085-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-12-06 WO disclosed