SCHEMBL9059998

SCHEMBL9059998

CCN1CCN(C(N)=Nc2ccccc2-c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 3/20 0.43
SIGMAR1 Q99720 4/20 0.43
MEN1 O00255 2/20 0.43
HSD11B1 P28845 2/20 0.43
TDP1 Q9NUW8 1/20 0.40
CHRNA7 P36544 1/20 0.40

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
SCHEMBL9059304 0.86 NCOA3 (0.50) NCOA3ALDH1A1KMT2AKDM4ESIGMAR1
SCHEMBL9059786 0.85 SIGMAR1 (0.46) KMT2AKDM4ESIGMAR1
SCHEMBL9061357 0.81 SIGMAR1 (0.60) SMN1; SMN2ALDH1A1KMT2AKDM4ESIGMAR1
SCHEMBL9059944 0.80 SIGMAR1 (0.48) SMN1; SMN2ALDH1A1KMT2AKDM4ESIGMAR1
SCHEMBL9059367 0.79 SIGMAR1 (0.46) ALDH1A1SIGMAR1
SCHEMBL9311235 0.79 SIGMAR1 (0.46) SMN1; SMN2NCOA3ALDH1A1KMT2AKDM4E
SCHEMBL9312005 0.78 SIGMAR1 (0.43) ALDH1A1SIGMAR1
SCHEMBL9060099 0.78 SIGMAR1 (0.47) SIGMAR1
SCHEMBL9059900 0.78 SIGMAR1 (0.49) SMN1; SMN2SIGMAR1
SCHEMBL9059436 0.78 SIGMAR1 (0.44) KMT2ASIGMAR1

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