SCHEMBL6231629

SCHEMBL6231629

Fc1ccccc1Nc1cc(Nc2ccc(Cl)c(Cl)c2)c2cc(Br)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
NPY5R Q15761 1/20 0.39
NT5E P21589 1/20 0.39
ACP1 P24666 1/20 0.39
EGFR P00533 3/20 0.38
SLC2A1 P11166 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.37
THRB P10828 1/20 0.37
IDO1 P14902 1/20 0.36
AURKA O14965 1/20 0.36
ADRB2 P07550 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
PTGFR P43088 2/20 0.36

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
SCHEMBL6229818 0.89 CCNC (0.48) TP53SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6234079 0.88 SLC2A1 (0.50) TP53SMN1; SMN2MAPTMEN1HTT
SCHEMBL6235130 0.88 MAPT (0.48) TP53SMN1; SMN2MAPTMEN1LMNA
SCHEMBL6236745 0.87 SLC2A1 (0.54) TP53SMN1; SMN2MAPTMEN1LMNA
SCHEMBL6231898 0.87 TP53 (0.43) TP53SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6235684 0.87 TP53 (0.43) TP53SMN1; SMN2MAPTMEN1LMNA
SCHEMBL6233830 0.84 SMN1; SMN2 (0.65) TP53SMN1; SMN2MAPTMEN1LMNA
SCHEMBL6231880 0.84 THRB (0.55) TP53SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6235371 0.80 MAPT (0.42) TP53SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6235697 0.80 NPY5R (0.39) TP53SMN1; SMN2MAPTMEN1KMT2A

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