SCHEMBL9059115

SCHEMBL9059115

Cc1cccc(N2CCCCC2)c1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.55
MAPT P10636 4/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
GAA P10253 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 5/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
THRB P10828 1/20 0.49
NR4A1 P22736 1/20 0.49
PTK2B Q14289 1/20 0.49
ATM Q13315 2/20 0.48
LMNA P02545 2/20 0.47
ALDH1A3 P47895 2/20 0.45
ADRB1 P08588 2/20 0.44
MAPK1 P28482 3/20 0.44
CD44 P16070 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 2/20 0.42
ALOX15 P16050 2/20 0.42

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
SCHEMBL3555024 0.83 ADRA2C (0.59) MAPTL3MBTL1GAAALDH1A1KMT2A
SCHEMBL9059418 0.81 PRKDC (0.49) MAPTL3MBTL1GAANPSR1ALDH1A1
SCHEMBL9059565 0.81 LGMN (0.46) KEAP1MAPTL3MBTL1GAANPSR1
SCHEMBL20436326 0.80 KEAP1 (0.59) KEAP1MAPTL3MBTL1GAANPSR1
SCHEMBL30228454 0.80 LMNA (0.68) MAPTL3MBTL1GAANPSR1ALDH1A1
SCHEMBL8894088 0.80 LMNA (0.68) MAPTL3MBTL1GAANPSR1ALDH1A1
SCHEMBL9065218 0.80 LMNA (0.68) MAPTL3MBTL1GAANPSR1ALDH1A1
SCHEMBL15365564 0.80 KEAP1 (0.70) KEAP1MAPTL3MBTL1GAANPSR1
SCHEMBL31172297 0.80 KEAP1 (0.70) KEAP1MAPTL3MBTL1GAANPSR1
SCHEMBL2332676 0.79 ADRB1 (0.64) KEAP1MAPTL3MBTL1GAANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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