SCHEMBL9059396

SCHEMBL9059396

CCCCCN=C(N)[N]C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
LMNA P02545 2/20 0.56
SIGMAR1 Q99720 2/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
NOS1 P29475 1/20 0.41
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
NAAA Q02083 1/20 0.38
SLC2A1 P11166 2/20 0.38
DDAH1 O94760 1/20 0.37
CYP1A2 P05177 2/20 0.36
USP2 O75604 2/20 0.36

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
SCHEMBL9059453 0.93
SCHEMBL1793913 0.81 MEN1 (0.60) MEN1KMT2ALMNASIGMAR1GRIN2D
SCHEMBL1795317 0.79 MEN1 (0.64) MEN1KMT2ALMNASIGMAR1GRIN2D
SCHEMBL1796037 0.79 MEN1 (0.64) MEN1KMT2ALMNASIGMAR1GRIN2D
SCHEMBL1792842 0.79 MEN1 (0.64) MEN1KMT2ALMNASIGMAR1GRIN2D
SCHEMBL912826 0.77 MEN1 (0.61) MEN1KMT2ALMNASIGMAR1GRIN2D
Polihexanide SCHEMBL20753163 0.77 LMNA (0.83) MEN1KMT2ALMNASIGMAR1GRIN2D
Polihexanide SCHEMBL29352776 0.77 LMNA (0.83) MEN1KMT2ALMNASIGMAR1GRIN2D
SCHEMBL29294 0.77
Hydrochloric Acid SCHEMBL21494278 0.76 LMNA (0.80) MEN1KMT2ALMNAPRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0385038-B1 ORTHO-SUBSTITUTED PHENYL AMIDINE AND PHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM The Boots Company PLC (GB) 1993-06-02 EP claimed
EP-0385038-A1 Ortho-substituted phenyl amidine and phenyl guanidine derivatives and antidiabetic or hypoglycaemic agents containing them The Boots Company PLC (GB) 1990-09-05 EP claimed
WO-1996017612-A1 USE OF SUBSTITUTED PHENYLAMIDINE AND PHENYLGUANIDINE COMPOUNDS FOR THE TREATMENT OF CEREBRAL AND CARDIAC ISCHAEMIA, CONVULSION AND SICKLE CELL ANAEMIA KNOLL AKTIENGESELLSCHAFT (DE) 1996-06-13 WO disclosed
US-5373008-A Phenylamidine and phenylguanidine derivatives and their use as anti-diabetic agents THE BOOTS COMPANT PLC. (GB) 1994-12-13 US disclosed
US-5223498-A Hypoglycemic agents THE BOOTS COMPANY PLC (GB) 1993-06-29 US disclosed
EP-0385038-B1 ORTHO-SUBSTITUTED PHENYL AMIDINE AND PHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM The Boots Company PLC (GB) 1993-06-02 EP disclosed
EP-0385038-A1 Ortho-substituted phenyl amidine and phenyl guanidine derivatives and antidiabetic or hypoglycaemic agents containing them The Boots Company PLC (GB) 1990-09-05 EP disclosed