SCHEMBL9059748

SCHEMBL9059748

CSCc1ccc(N2CCOCC2)c(/N=C(\N)N(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
NOS1 P29475 2/20 0.35
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 2/20 0.34
AOC3 Q16853 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
PAX8 Q06710 1/20 0.33
NAPEPLD Q6IQ20 1/20 0.33
RECQL P46063 1/20 0.33
PIK3CB P42338 1/20 0.33

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
SCHEMBL9059752 1.00 GAA (0.36) GAAALDH1A1KDM4ENOS1NOS3
SCHEMBL9423867 0.87 SIGMAR1 (0.39) GAAALDH1A1KDM4ENOS1NOS3
SCHEMBL9423865 0.87 SIGMAR1 (0.39) GAAALDH1A1KDM4ENOS1NOS3
SCHEMBL9423995 0.84 TSHR (0.39) GAAALDH1A1KDM4ENOS1NOS3
SCHEMBL9424013 0.84 TSHR (0.39) GAAALDH1A1KDM4ENOS1NOS3
SCHEMBL9424169 0.82 GRIN2D (0.43) GAAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL9424167 0.82 GRIN2D (0.43) GAAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL9423977 0.81 ALDH1A1 (0.43) GAAALDH1A1KDM4EKMT2AMEN1
SCHEMBL9423979 0.81 ALDH1A1 (0.43) GAAALDH1A1KDM4EKMT2AMEN1
SCHEMBL9060089 0.80 SIGMAR1 (0.38) ALDH1A1KDM4ENPSR1HSD17B10

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