SCHEMBL6576665

SCHEMBL6576665

CCCCOC(=O)Nc1nc(NC(=O)OCCCC)nc(-c2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
NPC1 O15118 6/20 0.52
ALDH1A1 P00352 5/20 0.52
CYP1A2 P05177 3/20 0.52
CYP2C19 P33261 3/20 0.52
NFKB1 P19838 1/20 0.52
STAT1 P42224 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
HPGD P15428 4/20 0.50
LMNA P02545 1/20 0.50
CSNK2A2 P19784 1/20 0.49
CSNK2A1 P68400 1/20 0.49
CASP1 P29466 1/20 0.49
GAA P10253 2/20 0.48
TSHR P16473 1/20 0.47
ADORA1 P30542 2/20 0.47
ADORA3 P0DMS8 1/20 0.47
CYP2C9 P11712 1/20 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
SCHEMBL7990159 0.93 POLB (0.49) RAB9ASMN1; SMN2NPC1ALDH1A1CYP1A2
SCHEMBL7981524 0.91 RAB9A (0.47) RAB9ASMN1; SMN2NPC1ALDH1A1CYP1A2
SCHEMBL7806424 0.87 RAB9A (0.51) RAB9ASMN1; SMN2NPC1ALDH1A1CYP1A2
SCHEMBL7239923 0.86 ALDH1A1 (0.56) RAB9ASMN1; SMN2NPC1ALDH1A1CYP1A2
SCHEMBL994563 0.84 RAB9A (0.55) RAB9ASMN1; SMN2NPC1ALDH1A1CYP1A2
SCHEMBL2906397 0.79 RAB9A (0.51) RAB9ASMN1; SMN2NPC1ALDH1A1CYP1A2
SCHEMBL7244671 0.79 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1CYP2C19HPGDLMNA
SCHEMBL6675218 0.79 TSHR (0.56) RAB9ASMN1; SMN2NPC1ALDH1A1CYP1A2
SCHEMBL2903601 0.79 RAB9A (0.51) RAB9ASMN1; SMN2NPC1ALDH1A1CYP1A2
SCHEMBL15102519 0.79 LMNA (0.54) RAB9ASMN1; SMN2NPC1ALDH1A1CYP1A2

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 26 patents — showing the first 20. 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
US-6506898-B1 Halogen-free, purity; curing agents CYTEC TECHNOLOGY CORP. 2003-01-14 US disclosed
EP-0624577-B1 Process for the preparation of 1,3,5-triazine carbamates, at least biscarbamate functional 1,3,5-triazines CYTEC TECH CORP (US) 2001-09-19 EP disclosed
US-6288226-B1 CURING CARBONATES CYTEC TECHNOLOGY CORPORATION 2001-09-11 US disclosed
EP-0565774-B1 Process for preparing amide derivatives from halominotriazines and acid halides CYTEC TECH CORP (US) 2001-03-28 EP disclosed
US-6204382-B1 CARBOXYLATION WITH CARBON DIOXIDE CYTEC TECHNOLOGY CORP. 2001-03-20 US disclosed
US-6063922-A Carbamate functional 1,3,5-triazines CYTEC TECHNOLOGY CORP. (US) 2000-05-16 US disclosed
EP-0976739-A2 A Process for the preparation of 1,3,5-triazine carbamates, at least biscarbimate functional 1,3,5-triazines as well as use of 1,3,5-triazine carbamates CYTEC TECHNOLOGY CORP. (US) 2000-02-02 EP disclosed
EP-0933371-A1 N-halo acid amides CYTEC TECHNOLOGY CORP. (US) 1999-08-04 EP disclosed
US-5705641-A Process for the preparation of 1,3,5-triazine carbamates from amino-1,3,5-triazines and organic carbonates CYTEC TECHNOLOGY CORP. (US) 1998-01-06 US disclosed
US-5641885-A Carboxylated amino-1,3,5 triazines and derivatives thereof CYTEC TECHNOLOGY CORP. (US) 1997-06-24 US disclosed
EP-0776321-A1 PROCESS FOR THE PREPARATION OF CARBOXYLATED AMINO-1,3,5-TRIAZINES AND DERIVATIVES THEREOF CYTEC TECHNOLOGY CORP. (US) 1997-06-04 EP disclosed
US-5571915-A Process for preparing amide derivatives from haloaminotriazines and acid halides CYTEC TECHNOLOGY CORP. (US) 1996-11-05 US disclosed
WO-1996004258-A1 PROCESS FOR THE PREPARATION OF CARBOXYLATED AMINO-1,3,5-TRIAZINES AND DERIVATIVES THEREOF CYTEC TECHNOLOGY CORP. (US) 1996-02-15 WO disclosed
US-5405959-A Haloaminotraizines and acid halides CYTEC TECHNOLOGY CORP. (US) 1995-04-11 US disclosed
EP-0624577-A1 Process for the preparation of 1,3,5-triazine carbamates, at least biscarbamate functional 1,3,5-triazines and their use as crosslinkers CYTEC TECHNOLOGY CORP. (US) 1994-11-17 EP 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
EP-0541966-A2 Process for preparing amide derivatives from halomines and acid halides AMERICAN CYANAMID COMPANY (US) 1993-05-19 EP disclosed