SCHEMBL6578846

SCHEMBL6578846

O=C(O)NCCCl.O=C(O)NCCCl.O=C(O)NCCCl.c1ncncn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
TSHR P16473 2/20 0.34
FAAH O00519 2/20 0.34
MEN1 O00255 1/20 0.34
ABCB11 O95342 1/20 0.34
GSR P00390 1/20 0.34
HTT P42858 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL745861 0.85
Hydrochloric Acid SCHEMBL11253384 0.83
SCHEMBL6578848 0.77 KMT2A (0.32) ALDH1A1TSHRFAAHMEN1ABCB11
SCHEMBL366669 0.70
SCHEMBL935367 0.69
SCHEMBL4047411 0.68 CYP2D6 (0.45) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL5792677 0.67 ALDH1A1 (0.54) ALDH1A1TSHRFAAHMEN1KMT2A
SCHEMBL6576548 0.67 CYP2C19 (0.74) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL5822894 0.66 HCAR2 (0.39) HCAR2
SCHEMBL7579999 0.66 GAA (0.45) ALDH1A1TSHRFAAHMEN1ABCB11

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-0541966-A2 Process for preparing amide derivatives from halomines and acid halides AMERICAN CYANAMID COMPANY (US) 1993-05-19 EP claimed
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-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-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
EP-0541966-A2 Process for preparing amide derivatives from halomines and acid halides AMERICAN CYANAMID COMPANY (US) 1993-05-19 EP disclosed