SCHEMBL9059653

SCHEMBL9059653

Cc1ccc(-c2ccccc2NC(=N)N(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.45
MAPT P10636 4/20 0.45
NPC1 O15118 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 5/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
FABP4 P15090 1/20 0.40
HTT P42858 2/20 0.38
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
SCHEMBL9311252 0.88 FABP4 (0.49) ALDH1A1SMN1; SMN2MAPTCYP2C9MEN1
SCHEMBL9059324 0.86 TDP1 (0.46) ALDH1A1SMN1; SMN2LMNAL3MBTL1FABP4
SCHEMBL9059661 0.83 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL9059577 0.83 ALDH1A1 (0.45) ALDH1A1LMNAMEN1KMT2AL3MBTL1
SCHEMBL9059486 0.82 MAPT (0.45) ALDH1A1SMN1; SMN2MAPTNPC1CYP2C9
Fumaric Acid SCHEMBL9311944 0.79 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2MAPTCYP2C9MEN1
SCHEMBL29707150 0.77 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2MAPTNPC1CYP1A2
SCHEMBL5100118 0.76 MAPT (0.60) ALDH1A1SMN1; SMN2MAPTNPC1CYP1A2
SCHEMBL9062891 0.76 POLB (0.47) FABP4HTTPOLB
Fumaric Acid SCHEMBL9311338 0.76 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPTNPC1CYP2C9

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