SCHEMBL9059786

SCHEMBL9059786

CN1CCN(C(N)=Nc2ccccc2-c2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.46
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL9059864 0.86 SIGMAR1 (0.40) SIGMAR1L3MBTL1CYP2C9
SCHEMBL9059169 0.85 POLB (0.39) SIGMAR1POLBL3MBTL1KMT2AKDM4E
SCHEMBL9061357 0.85 SIGMAR1 (0.60) SIGMAR1POLBKMT2AMAPTKDM4E
SCHEMBL9059998 0.85 SMN1; SMN2 (0.48) SIGMAR1KMT2AKDM4E
SCHEMBL9059304 0.85 NCOA3 (0.50) SIGMAR1POLBKMT2AKDM4E
SCHEMBL9059945 0.84 POLB (0.38) SIGMAR1POLBL3MBTL1MAPTCYP2C9
SCHEMBL9059335 0.84 MET (0.39) SIGMAR1POLBL3MBTL1MAPTKDM4E
SCHEMBL9059413 0.83 SIGMAR1 (0.42) SIGMAR1L3MBTL1KMT2A
SCHEMBL9059944 0.83 SIGMAR1 (0.48) SIGMAR1KMT2AKDM4E
SCHEMBL9311235 0.82 SIGMAR1 (0.46) SIGMAR1KMT2AMAPTCYP2C9KDM4E

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 4 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
EP-0536151-B1 ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM BOOTS CO PLC (GB) 1994-09-14 EP disclosed
US-5302720-A Biphenyl-substituted guanidine derivatives useful as hypoglycaemic agents THE BOOTS COMPANY (GB) 1994-04-12 US disclosed
WO-1992000273-A1 ORTHOSUBSTITUTED BIPHENYL AMIDINE AND BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM THE BOOTS COMPANY PLC (GB) 1992-01-09 WO disclosed