SCHEMBL13577604

SCHEMBL13577604

CCOC(=O)c1c(Br)c2n(c(=O)c1OCc1ccccc1)CC(C)(C)C(OCc1ccccc1)CN(C)C2=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.34
EGFR P00533 2/20 0.34
TDP2 O95551 1/20 0.33
NSD2 O96028 1/20 0.33
PLCG1 P19174 1/20 0.33
PAX8 Q06710 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
MAOB P27338 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL13577600 0.89 HTT (0.34) HTTSMN1; SMN2MAPTEGFRTDP2
SCHEMBL3984538 0.72 SMN1; SMN2 (0.40) HTTSMN1; SMN2MAPTEGFRTDP2
SCHEMBL3987589 0.71 SMN1; SMN2 (0.41) SMN1; SMN2MAPTEGFRTDP2NSD2
SCHEMBL3985780 0.68 SMN1; SMN2 (0.39) SMN1; SMN2MAPTEGFRTDP2NSD2
SCHEMBL4450954 0.67 MAPK14 (0.32) MAPTALDH1A1HPGDL3MBTL1GAA
SCHEMBL3988044 0.67 SMN1; SMN2 (0.41) SMN1; SMN2MAPTEGFRTDP2NSD2
SCHEMBL3985363 0.67 SMN1; SMN2 (0.41) SMN1; SMN2MAPTEGFRTDP2NSD2
SCHEMBL3985176 0.67 SMN1; SMN2 (0.39) HTTSMN1; SMN2MAPTEGFRTDP2
SCHEMBL3985352 0.66 MAPT (0.39) SMN1; SMN2MAPTEGFRTDP2NSD2
SCHEMBL3982506 0.65 KDM4E (0.41) MAPTEGFRKDM4EALDH1A1L3MBTL1

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-2009154870-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2009-12-23 WO disclosed