SCHEMBL6578768

SCHEMBL6578768

CCCCOC(=O)Nc1ncnc(C)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.51
NPC1 O15118 7/20 0.51
SMN1; SMN2 Q16637 7/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
CASP1 P29466 1/20 0.48
ALDH1A1 P00352 4/20 0.47
GLA P06280 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 2/20 0.46
MAPK1 P28482 2/20 0.46
GAA P10253 1/20 0.45
CYP1A2 P05177 4/20 0.45
CYP2C19 P33261 4/20 0.45
NFKB1 P19838 1/20 0.45
STAT1 P42224 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
HPGD P15428 6/20 0.45
CYP2C9 P11712 2/20 0.45
KDM4E B2RXH2 2/20 0.45

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
SCHEMBL6256084 0.87 RAB9A (0.52) RAB9ANPC1SMN1; SMN2L3MBTL1CASP1
SCHEMBL6270005 0.86 RAB9A (0.51) RAB9ANPC1SMN1; SMN2L3MBTL1CASP1
SCHEMBL6578691 0.83 TSHR (0.51) RAB9ANPC1SMN1; SMN2L3MBTL1CASP1
SCHEMBL996720 0.82 L3MBTL1 (0.55) RAB9ANPC1SMN1; SMN2L3MBTL1CASP1
SCHEMBL994563 0.80 RAB9A (0.55) RAB9ANPC1SMN1; SMN2L3MBTL1CASP1
SCHEMBL7806424 0.79 RAB9A (0.51) RAB9ANPC1SMN1; SMN2L3MBTL1CASP1
SCHEMBL7244191 0.79 RAB9A (0.45) RAB9ANPC1SMN1; SMN2L3MBTL1CASP1
SCHEMBL6675218 0.79 TSHR (0.56) RAB9ANPC1SMN1; SMN2L3MBTL1CASP1
SCHEMBL9634152 0.78 L3MBTL1 (0.50) RAB9ANPC1SMN1; SMN2L3MBTL1CASP1
SCHEMBL7973850 0.77 RAB9A (0.43) RAB9ANPC1SMN1; SMN2L3MBTL1CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0930303-B1 A process for preparing isocyanate compounds from haloaminotriazines and acid halides CYTEC TECH CORP (US) 2004-02-04 EP disclosed
EP-0933371-B1 N-halo acid amides CYTEC TECH CORP (US) 2003-04-09 EP disclosed
EP-0565774-B1 Process for preparing amide derivatives from halominotriazines and acid halides CYTEC TECH CORP (US) 2001-03-28 EP disclosed
EP-0933370-A1 Tris-(2,2,6,6-tetramethyl-piperid-4-yl-aminocarbonyl)melamine CYTEC TECHNOLOGY CORP. (US) 1999-08-04 EP disclosed
EP-0933371-A1 N-halo acid amides CYTEC TECHNOLOGY CORP. (US) 1999-08-04 EP disclosed
EP-0933369-A1 Tris-(omega-haloacyl)melamines CYTEC TECHNOLOGY CORP. (US) 1999-08-04 EP disclosed
EP-0930303-A2 A process for preparing isocyanate compounds from haloaminotriazines and acid halides CYTEC TECHNOLOGY CORP. (US) 1999-07-21 EP disclosed
US-5571915-A Process for preparing amide derivatives from haloaminotriazines and acid halides CYTEC TECHNOLOGY CORP. (US) 1996-11-05 US disclosed
US-5405959-A Haloaminotraizines and acid halides CYTEC TECHNOLOGY CORP. (US) 1995-04-11 US disclosed
US-5288865-A Process for preparing amide derivatives from haloaminotriazines and acid halides AMERICAN CYANAMID COMPANY (US) 1994-02-22 US disclosed
EP-0565774-A2 Process for preparing amide derivatives from halominotriazines and acid halides CYTEC TECHNOLOGY CORP. (US) 1993-10-20 EP disclosed