SCHEMBL9059299

SCHEMBL9059299

CN(C)C(N)=Nc1ccccc1N(C)C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.53
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CHEK1 O14757 1/20 0.37
NEK2 P51955 1/20 0.37
LIMK1 P53667 1/20 0.37
DYRK1A Q13627 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37

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
SCHEMBL9059298 1.00 SIGMAR1 (0.53) SIGMAR1GAAMAPTALDH1A1TP53
SCHEMBL15850790 0.78 MAPT (0.42) SIGMAR1GAAMAPTALDH1A1TP53
SCHEMBL9060715 0.76 SIGMAR1 (0.43) SIGMAR1TP53TSHR
SCHEMBL9424530 0.76 SIGMAR1 (0.43) SIGMAR1TP53TSHR
SCHEMBL8722208 0.72 MAPT (0.48) SIGMAR1GAAMAPTALDH1A1TP53
SCHEMBL3196129 0.72 MAPT (0.48) SIGMAR1GAAMAPTALDH1A1TP53
SCHEMBL27293748 0.72 GAA (0.44) SIGMAR1GAAALDH1A1KDM4E
SCHEMBL27747191 0.71 NOS1 (0.60) SIGMAR1MAPT
SCHEMBL9059656 0.70 SIGMAR1 (0.43) SIGMAR1GAAMAPTALDH1A1SMN1; SMN2
SCHEMBL9059756 0.70 SIGMAR1 (0.50) SIGMAR1TSHR

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
CN-1037346-C Therapeutic agents BOOTS CO LTD (GB) 1998-02-11 CN disclosed
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
CN-1057648-A Therapeutical agent BOOTS CO PLC (GB) 1992-01-08 CN 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