SCHEMBL9059633

SCHEMBL9059633

CN/C(=N\c1ccccc1N1CCCCC1)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MAPK1 P28482 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KEAP1 Q14145 1/20 0.39
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
NPC1 O15118 1/20 0.38
PARP1 P09874 1/20 0.37
ATM Q13315 1/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
RBP4 P02753 1/20 0.34

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
SCHEMBL9059637 1.00 GAA (0.43) GAAL3MBTL1MAPK1MEN1KMT2A
SCHEMBL9424336 0.99 GAA (0.44) GAAL3MBTL1MAPK1MEN1KMT2A
SCHEMBL9424339 0.99 GAA (0.44) GAAL3MBTL1MAPK1MEN1KMT2A
SCHEMBL9424714 0.86 ALDH1A1 (0.39) GAAL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL9424709 0.86 ALDH1A1 (0.39) GAAL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL9424438 0.73 ALDH1A1 (0.39) GAAL3MBTL1MAPK1MEN1KMT2A
SCHEMBL9424434 0.73 ALDH1A1 (0.39) GAAL3MBTL1MAPK1MEN1KMT2A
SCHEMBL9059194 0.73 SIGMAR1 (0.61) GAAMAPK1MEN1KMT2AKEAP1
SCHEMBL9060248 0.73 SMN1; SMN2 (0.41) GAAL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL9060243 0.73 SMN1; SMN2 (0.41) GAAL3MBTL1MEN1KMT2ASMN1; SMN2

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