SCHEMBL6231880

SCHEMBL6231880

COc1ccccc1Nc1cc(Nc2ccc(Cl)c(Cl)c2)c2cc(Br)ccc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.55
TP53 P04637 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PTPN11 Q06124 1/20 0.45
APAF1 O14727 1/20 0.43
TDP2 O95551 1/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
RECQL P46063 1/20 0.43
EPHA2 P29317 4/20 0.42
KDR P35968 4/20 0.42
EPHB4 P54760 4/20 0.42
ERBB2 P04626 2/20 0.42
EGFR P00533 2/20 0.42
GAK O14976 2/20 0.42
EPHB6 O15197 1/20 0.42
RIPK2 O43353 1/20 0.42
STK16 O75716 1/20 0.42
ABL1 P00519 1/20 0.42

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
SCHEMBL6236871 0.89 SMN1; SMN2 (0.66) TP53SMN1; SMN2PTPN11POLBMAPT
SCHEMBL6233225 0.88 POLB (0.51) TP53SMN1; SMN2POLBMAPTMAPK8
SCHEMBL6236745 0.86 SLC2A1 (0.54) THRBTP53SMN1; SMN2MAPTGAA
SCHEMBL6235130 0.85 MAPT (0.48) TP53SMN1; SMN2TDP2MAPTEGFR
SCHEMBL6231629 0.84 TP53 (0.43) THRBTP53SMN1; SMN2MAPTEGFR
SCHEMBL6231898 0.84 TP53 (0.43) THRBTP53SMN1; SMN2POLBMAPT
SCHEMBL6235684 0.84 TP53 (0.43) TP53SMN1; SMN2MAPTGAAEGFR
SCHEMBL6232210 0.82 MAPT (0.45) THRBTP53SMN1; SMN2POLBMAPT
SCHEMBL6235106 0.78 SMN1; SMN2 (0.69) TP53SMN1; SMN2PTPN11POLBMAPT
SCHEMBL6234312 0.78 SMN1; SMN2 (0.65) THRBTP53SMN1; SMN2PTPN11POLB

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