SCHEMBL9059486

SCHEMBL9059486

CC(=O)c1ccc(-c2ccccc2NC(=N)N(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 6/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
FABP4 P15090 1/20 0.42
KMT2A Q03164 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HDAC2 Q92769 1/20 0.39
MEN1 O00255 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
Fumaric Acid SCHEMBL9311338 0.92 ALDH1A1 (0.52) MAPTSMN1; SMN2ALDH1A1NPY1RNPY2R
SCHEMBL9311252 0.83 FABP4 (0.49) MAPTSMN1; SMN2ALDH1A1FABP4KMT2A
SCHEMBL9059653 0.82 ALDH1A1 (0.49) MAPTSMN1; SMN2ALDH1A1FABP4KMT2A
SCHEMBL9059324 0.81 TDP1 (0.46) SMN1; SMN2ALDH1A1NPY1RNPY2RFABP4
Fumaric Acid SCHEMBL9311944 0.80 ALDH1A1 (0.64) MAPTSMN1; SMN2ALDH1A1FABP4KMT2A
SCHEMBL9059661 0.78 ALDH1A1 (0.49) MAPTSMN1; SMN2ALDH1A1KMT2AHDAC2
SCHEMBL11448863 0.74 MAPT (0.71) MAPTSMN1; SMN2ALDH1A1KMT2ARAB9A
SCHEMBL9059577 0.72 ALDH1A1 (0.45) ALDH1A1FABP4KMT2AMEN1LMNA
SCHEMBL12332689 0.72 MAPT (0.68) MAPTSMN1; SMN2ALDH1A1KMT2ARAB9A
SCHEMBL9062891 0.71 POLB (0.47) FABP4

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 5 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
EP-0536151-A1 ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM. BOOTS CO PLC (GB) 1993-04-14 EP 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