SCHEMBL9539360

SCHEMBL9539360

CN(C)C(=N)Nc1cc(Cl)ccc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 6/20 0.49
FABP5 Q01469 2/20 0.47
NPSR1 Q6W5P4 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
IDH2 P48735 1/20 0.39
ATM Q13315 1/20 0.39
SERPINE1 P05121 1/20 0.38
LMNA P02545 1/20 0.38
PLA2G1B P04054 1/20 0.38
THRB P10828 1/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 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
SCHEMBL9059324 0.82 TDP1 (0.46) FABP4NPSR1KDM4EALDH1A1L3MBTL1
SCHEMBL9311252 0.81 FABP4 (0.49) FABP4NPSR1KDM4EALDH1A1HPGD
SCHEMBL9310567 0.80 CHRM3 (0.47) NPSR1KDM4EALDH1A1L3MBTL1GAA
Iodide SCHEMBL11164020 0.78 FABP4 (0.51) FABP4FABP5NPSR1KDM4EALDH1A1
SCHEMBL5213164 0.77 KDM4E (0.59) FABP4FABP5NPSR1KDM4EALDH1A1
SCHEMBL5099112 0.76 FABP4 (0.62) FABP4FABP5NPSR1KDM4EALDH1A1
SCHEMBL11160989 0.74 FABP4 (0.52) FABP4FABP5KDM4EALDH1A1IRAK4
SCHEMBL23609610 0.73 FABP4 (0.48) FABP4FABP5NPSR1KDM4EALDH1A1
Fumaric Acid SCHEMBL9311538 0.73 CHRM3 (0.46) NPSR1KDM4EALDH1A1L3MBTL1GAA
SCHEMBL21030832 0.73 KCNMA1 (0.68) FABP4FABP5NPSR1KDM4EIRAK4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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