SCHEMBL9539364

SCHEMBL9539364

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.41
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 2/20 0.36
S100B P04271 1/20 0.36
POLB P06746 1/20 0.36
RAD52 P43351 1/20 0.36
SLC9A1 P19634 1/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
HSD11B1 P28845 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
MEN1 O00255 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL9311667 0.82 SIGMAR1 (0.41) SIGMAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL9311475 0.80 BACE1 (0.42) ALDH1A1KMT2AHTR3EHTR3BHTR3A
SCHEMBL9060356 0.71 GRIN2D (0.44) SIGMAR1
SCHEMBL9059656 0.71 SIGMAR1 (0.43) SIGMAR1ALDH1A1KMT2APOLBHTR3E
SCHEMBL9059579 0.71 SIGMAR1 (0.48) SIGMAR1SLC9A1HTR3EHTR3BHTR3A
SCHEMBL9059756 0.68 SIGMAR1 (0.50) SIGMAR1KMT2AMEN1
SCHEMBL9311522 0.68 GRIN2D (0.46) SIGMAR1
Methyl Alcohol SCHEMBL28859435 0.67 ALDH1A1 (0.48) ALDH1A1KMT2AHSD11B1PTGDR2SMN1; SMN2
SCHEMBL9537348 0.67 MIF (0.39) ALDH1A1KMT2ACASP3SENP7SENP6
SCHEMBL9060002 0.67 SIGMAR1 (0.40) SIGMAR1ALDH1A1KMT2AMEN1SMN1; SMN2

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