SCHEMBL6236745

SCHEMBL6236745

Cc1ccccc1Nc1cc(Nc2ccc(Cl)c(Cl)c2)c2cc(Br)ccc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.54
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPK13 O15264 2/20 0.41
MAPK12 P53778 2/20 0.41
MAPK11 Q15759 2/20 0.41
MAPK14 Q16539 2/20 0.41
MAPT P10636 4/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
NPY5R Q15761 1/20 0.39
THRB P10828 1/20 0.39
TNF P01375 1/20 0.39
EGFR P00533 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 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
SCHEMBL6233063 0.88 SLC2A1 (0.71) SLC2A1TP53SMN1; SMN2MAPK13MAPK12
SCHEMBL6235130 0.88 MAPT (0.48) SLC2A1TP53SMN1; SMN2MAPTLMNA
SCHEMBL6231898 0.87 TP53 (0.43) SLC2A1TP53SMN1; SMN2MAPTGAA
SCHEMBL6231629 0.87 TP53 (0.43) SLC2A1TP53SMN1; SMN2MAPTLMNA
SCHEMBL6235684 0.87 TP53 (0.43) TP53SMN1; SMN2MAPK13MAPK12MAPK11
SCHEMBL6231880 0.86 THRB (0.55) TP53SMN1; SMN2MAPK14MAPTGAA
SCHEMBL6235106 0.85 SMN1; SMN2 (0.69) SLC2A1TP53SMN1; SMN2MAPTLMNA
SCHEMBL6231640 0.80 SLC2A1 (0.48) SLC2A1TP53SMN1; SMN2MAPK13MAPK12
SCHEMBL6087219 0.79 TP53 (0.52) SLC2A1TP53SMN1; SMN2MAPTLMNA
SCHEMBL6087819 0.77 TP53 (0.50) SLC2A1TP53SMN1; SMN2MAPTLMNA

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-1430030-B1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2005-05-18 EP disclosed