SCHEMBL6235487

SCHEMBL6235487

Oc1ccccc1Nc1cc(Nc2ccc(Cl)c(Cl)c2)c2cc(F)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 3/20 0.42
GAA P10253 3/20 0.42
POLB P06746 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
NPY5R Q15761 1/20 0.41
ADORA1 P30542 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLA1 P09884 1/20 0.38
ABCG2 Q9UNQ0 3/20 0.38
ABCB1 P08183 1/20 0.38
SLC2A1 P11166 2/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
RIPK2 O43353 1/20 0.38
EGFR P00533 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
SCHEMBL6229818 0.89 CCNC (0.48) TP53SMN1; SMN2MAPTGAAMEN1
SCHEMBL6230099 0.88 L3MBTL1 (0.51) TP53SMN1; SMN2MAPTGAAPOLB
SCHEMBL6238255 0.88 NPY5R (0.51) TP53SMN1; SMN2MAPTPOLBMEN1
SCHEMBL6231898 0.87 TP53 (0.43) TP53SMN1; SMN2MAPTGAAPOLB
SCHEMBL6087570 0.81 TP53 (0.50) TP53SMN1; SMN2POLBMEN1KMT2A
SCHEMBL6088381 0.81 SMN1; SMN2 (0.52) TP53SMN1; SMN2POLBMEN1KMT2A
SCHEMBL6231257 0.80 MEN1 (0.42) TP53SMN1; SMN2MAPTGAAPOLB
SCHEMBL6234079 0.78 SLC2A1 (0.50) TP53SMN1; SMN2MAPTPOLBMEN1
SCHEMBL6231629 0.78 TP53 (0.43) TP53SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6235222 0.76 GAA (0.47) TP53SMN1; SMN2MAPTGAAPOLB

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