SCHEMBL7625980

SCHEMBL7625980

N=C(N)NC(=N)N(Cl)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
IDO1 P14902 3/20 0.39
NOS1 P29475 3/20 0.39
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
AOC3 Q16853 1/20 0.37
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 3/20 0.35
TSHR P16473 1/20 0.35
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35

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
SCHEMBL3071669 0.82 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL19371379 0.81 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14868311 0.79 NPC1 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL28480228 0.78 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL1937211 0.78 NPC1 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL28482365 0.78 NPC1 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL28482475 0.78 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL17186270 0.77 NPC1 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7428059 0.76 CA12 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Dichloroacetic Acid SCHEMBL11694917 0.73 NPC1 (0.49) CA12CA9NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108536-A Biguanide compound and application thereof 伊谬诺米特医疗有限公司 2017-08-29 CN claimed
CN-106458868-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2017-02-22 CN claimed
US-6488942-B1 CHLOROPHENYL BIGUANIDE AND/OR CHLOROBENZYL BIGUANIDE COMPOUNDS AND BENZOIC ACID IN AN AQUEOUS ALCOHOLIC SOLUTION, USE IN THE DENTAL FIELD; CHLORHEXIDINE; STORAGE STABLE MOUTHWASH DDG DENTAL DEVICES GMBH (DE) 2002-12-03 US claimed
EP-1023036-B1 DISINFECTING AGENT DDG DENTAL DEVICES GMBH (DE) 2002-01-09 EP claimed
EP-1023036-A2 DISINFECTING AGENT DDG Dental Devices GmbH (DE) 2000-08-02 EP claimed
WO-1999020228-A2 DISINFECTING AGENT DDG DENTAL DEVICES GMBH (DE) 1999-04-29 WO claimed
WO-2023115158-A1 COATING COMPOSITIONS Silfresh Pty Ltd (AU) 2023-06-29 WO disclosed
CN-107108536-A Biguanide compound and application thereof 伊谬诺米特医疗有限公司 2017-08-29 CN disclosed
CN-106458868-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2017-02-22 CN disclosed
WO-2012119155-A1 ANTIMICROBIAL COMPOSITIONS FOR TOOTH FLUORIDATION AND REMINERALIZATION AMERICAN DENTAL ASSOCIATION FOUNDATION (US) 2012-09-07 WO disclosed
US-6488942-B1 CHLOROPHENYL BIGUANIDE AND/OR CHLOROBENZYL BIGUANIDE COMPOUNDS AND BENZOIC ACID IN AN AQUEOUS ALCOHOLIC SOLUTION, USE IN THE DENTAL FIELD; CHLORHEXIDINE; STORAGE STABLE MOUTHWASH DDG DENTAL DEVICES GMBH (DE) 2002-12-03 US disclosed
US-6488942-B1 CHLOROPHENYL BIGUANIDE AND/OR CHLOROBENZYL BIGUANIDE COMPOUNDS AND BENZOIC ACID IN AN AQUEOUS ALCOHOLIC SOLUTION, USE IN THE DENTAL FIELD; CHLORHEXIDINE; STORAGE STABLE MOUTHWASH DDG DENTAL DEVICES GMBH (DE) 2002-12-03 US disclosed
EP-1023036-A2 DISINFECTING AGENT DDG Dental Devices GmbH (DE) 2000-08-02 EP disclosed
WO-1999020228-A2 DISINFECTING AGENT DDG DENTAL DEVICES GMBH (DE) 1999-04-29 WO disclosed
WO-1998004143-A2 A PROCESS FOR THE DECONTAMINATION OF MEATS THE DOW CHEMICAL COMPANY (US) 1998-02-05 WO disclosed
EP-0074082-B1 STABLE ORAL COMPOSITIONS CONTAINING ZINC AND FLUORIDE COMPOUNDS Richardson-Vicks, Inc. (US) 1987-10-21 EP disclosed