SCHEMBL5264575

SCHEMBL5264575

COC(=O)N(C)C.c1ncncn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRNB2 P17787 2/20 0.33
CHRM3 P20309 2/20 0.33
CHRNA4 P43681 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 2/20 0.33
ALOX15 P16050 1/20 0.33
NCEH1 Q6PIU2 3/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
NPC1 O15118 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
SCHEMBL208499 0.84
Ammonia Solution, Strong SCHEMBL9456636 0.81
SCHEMBL1310229 0.81
SCHEMBL28003019 0.72 ALOX15 (0.38) KDM4ETSHRALOX15ALDH1A1
Methyl Carbamate SCHEMBL28075490 0.70 ALDH1A1 (0.35) KDM4EGAANPSR1TSHRALOX15
Trifluoroacetic Acid SCHEMBL29678801 0.68 RAB9A (0.33) RAB9ACHRM2CHRM4CHRM5CHRM1
SCHEMBL19483214 0.67 HCAR2 (0.35) KDM4EGAAALDH1A1
Anthraquinone SCHEMBL29674372 0.67 KEAP1 (0.50) RAB9AKDM4EALOX15ALDH1A1NPC1
SCHEMBL2895036 0.67
SCHEMBL3360045 0.66 ALDH1A1 (0.41) RAB9ACHRM2CHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737834-B1 METHOD FOR PRODUCING 1,3,5-TRIAZINE CARBAMATES AND UREAS BASF AG (DE) 2007-10-03 EP disclosed
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-0933369-A1 Tris-(omega-haloacyl)melamines 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-0933370-A1 Tris-(2,2,6,6-tetramethyl-piperid-4-yl-aminocarbonyl)melamine 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
EP-0541966-A2 Process for preparing amide derivatives from halomines and acid halides AMERICAN CYANAMID COMPANY (US) 1993-05-19 EP disclosed