SCHEMBL6574033

SCHEMBL6574033

O=C(O)Oc1ccc2[nH]ncc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
ROCK2 O75116 4/20 0.49
ROCK1 Q13464 4/20 0.49
CTNNB1 P35222 3/20 0.49
WNT3A P56704 3/20 0.49
JAK2 O60674 1/20 0.48
DYRK3 O43781 1/20 0.47
CLK1 P49759 1/20 0.47
CLK2 P49760 1/20 0.47
CLK3 P49761 1/20 0.47
GSK3B P49841 1/20 0.47
CDK5 Q00535 1/20 0.47
DYRK1A Q13627 1/20 0.47
CDK5R1 Q15078 1/20 0.47
DYRK2 Q92630 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
NOS1 P29475 4/20 0.47
MEN1 O00255 3/20 0.47

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
SCHEMBL27604757 0.89 ROCK2 (0.55) RAB9ANPC1ROCK2ROCK1CTNNB1
SCHEMBL4039954 0.87 FGFR1 (0.47) RAB9ANPC1CLK2DYRK1ACLK4
SCHEMBL5990338 0.85 RAB9A (0.48) RAB9ANPC1ROCK2ROCK1CTNNB1
SCHEMBL28317368 0.81 NPC1 (0.48) RAB9ANPC1ROCK2ROCK1CTNNB1
SCHEMBL25267161 0.81 PDGFRB (0.52) RAB9ANPC1ROCK2ROCK1CTNNB1
SCHEMBL6599753 0.80 ROCK2 (0.55) RAB9ANPC1ROCK2ROCK1CTNNB1
SCHEMBL29843483 0.80 ROCK2 (0.55) RAB9ANPC1ROCK2ROCK1CTNNB1
SCHEMBL31691684 0.78 MAPK1 (0.48) RAB9ANPC1ROCK2ROCK1JAK2
SCHEMBL16023025 0.78 RAB9A (0.50) RAB9ANPC1ROCK2ROCK1JAK2
SCHEMBL4433860 0.77 GSK3B (0.49) RAB9ANPC1ROCK2ROCK1CTNNB1

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-1247869-A1 Process for the production of non-proteinogenic amino acids Consortium für elektrochemische Industrie GmbH (DE) 2002-10-09 EP claimed
EP-1191106-B1 Process for the fermentative preparation of non-proteinogenic L-amino acids CONSORTIUM ELEKTROCHEM IND (DE) 2004-04-28 EP disclosed
EP-1247869-A1 Process for the production of non-proteinogenic amino acids Consortium für elektrochemische Industrie GmbH (DE) 2002-10-09 EP disclosed
EP-1191106-A1 Verfahren zur fermentativen Herstellung von nicht-proteinogenen L-Aminosäuren Consortium für elektrochemische Industrie GmbH (DE) 2002-03-27 EP disclosed