SCHEMBL671432

SCHEMBL671432

O=C(CC(=O)c1ccccn1)C1=COC=C(C2=CC=CCC2)O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 7/20 0.41
MAPT P10636 2/20 0.32
POLB P06746 1/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
WNT3A P56704 4/20 0.32
GRM4 Q14833 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
GRM5 P41594 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
LMNA P02545 1/20 0.31
NAPRT Q6XQN6 1/20 0.31
P4HTM Q9NXG6 1/20 0.31
SMYD3 Q9H7B4 1/20 0.31
CRBN Q96SW2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL5370478 0.78
SCHEMBL13737167 0.77 MEN1 (0.33) KMT2A
SCHEMBL15974901 0.75 CTNNB1 (0.39) CTNNB1WNT3AALDH1A1
Hydrochloric Acid SCHEMBL4771408 0.75
SCHEMBL13737275 0.74 KDM4E (0.32) GAAKDM4EKMT2AALDH1A1
SCHEMBL6581341 0.74
SCHEMBL6440727 0.73
SCHEMBL6794494 0.73
SCHEMBL6995701 0.72
SCHEMBL1267649 0.72

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2605652-A1 DIKETONES AND HYDROXYKETONES AS CATENIN SIGNALING PATHWAY ACTIVATORS Samumed, LLC (US) 2013-06-26 EP disclosed
WO-2012024404-A1 DIKETONES AND HYDROXYKETONES AS CATENIN SIGNALING PATHWAY ACTIVATORS WINTHERIX, LLC (US) 2012-02-23 WO disclosed