SCHEMBL16627093

SCHEMBL16627093

CCOC(=P)Cc1c(O)nc2ccccc2c1-c1cccc(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 4/20 0.41
KDM4E B2RXH2 2/20 0.41
ALOX5 P09917 3/20 0.39
PTGES O14684 1/20 0.39
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CYP19A1 P11511 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
ALOX15 P16050 2/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL16624740 0.88 ALDH1A1 (0.49) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL16627094 0.87 SMN1; SMN2 (0.41) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL16627090 0.86 CYP1A2 (0.45) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL16624737 0.82 SMN1; SMN2 (0.55) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL16624738 0.79 L3MBTL1 (0.48) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL16627091 0.75 CYP1A2 (0.49) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL16624692 0.74 KMT2A (0.47) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL29488289 0.71 ESR1 (0.56) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL602028 0.71 ESR1 (0.56) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL16624714 0.70 SMN1; SMN2 (0.55) MEN1KMT2ASMN1; SMN2LMNAMAPT

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
WO-2015051044-A2 NOVEL FORMATS FOR ORGANIC COMPOUNDS FOR USE IN RNA INTERFERENCE NOVARTIS AG (CH) 2015-04-09 WO disclosed