SCHEMBL13620240

SCHEMBL13620240

COc1cnn(O)c(=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 4/20 0.38
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.33
HTT P42858 2/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
NPC1 O15118 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
PAX8 Q06710 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPBWR1 P48145 1/20 0.32
MCHR1 Q99705 1/20 0.32
CYP19A1 P11511 1/20 0.32
NQO2 P16083 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL979263 0.78 HTR3A (0.38) ALDH1A1MAPTHTTNPC1S1PR4
SCHEMBL980682 0.73 PDE1A (0.43) KMT2ANPBWR1MCHR1GAA
SCHEMBL1751014 0.69 NPBWR1 (0.56) ALDH1A1MAPTHTTNPC1S1PR4
SCHEMBL980667 0.69 CYP1A2 (0.40) ALDH1A1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL1550906 0.67 NPBWR1 (0.59) HTTKMT2ASMN1; SMN2NPBWR1MCHR1
SCHEMBL9464494 0.65 IDH1 (0.44) IDH1NPC1RAB9A
SCHEMBL1750445 0.64 NPBWR1 (0.44) ALDH1A1MAPTHTTNPC1S1PR4
SCHEMBL4810016 0.63 TUBB4A (0.47) ALDH1A1MAPTHTTNPC1RAB9A
SCHEMBL15232194 0.61 KMT2A (0.43) MAPTKMT2ANPBWR1MCHR1LMNA
SCHEMBL23414968 0.61 ALPL (0.49) ALDH1A1MAPTKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2123264-A1 Heterocyclic derivatives as abnormal cannabidiols agents for lowering intraocular pressure Allergan, Inc. (US) 2009-11-25 EP disclosed
WO-2007127711-A2 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. (US) 2007-11-08 WO disclosed