SCHEMBL20079922

SCHEMBL20079922

N=C(CCC(=O)c1ccccn1)c1cccs1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 11/20 0.79
WNT3A P56704 9/20 0.52
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
GRM4 Q14833 1/20 0.44
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41

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
SCHEMBL652034 0.88 CTNNB1 (1.00) CTNNB1WNT3ANPC1RAB9AKMT2A
SCHEMBL7431727 0.79 CTNNB1 (0.71) CTNNB1NPC1RAB9AKMT2AALDH1A1
SCHEMBL2470002 0.78 CTNNB1 (0.71) CTNNB1WNT3AKMT2AALDH1A1LMNA
SCHEMBL15980176 0.72 CTNNB1 (0.65) CTNNB1WNT3AKMT2AALDH1A1LMNA
SCHEMBL4743860 0.72 CTNNB1 (0.63) CTNNB1WNT3AKMT2AALDH1A1LMNA
SCHEMBL30609612 0.72 CTNNB1 (0.63) CTNNB1WNT3AKMT2AALDH1A1LMNA
SCHEMBL15980186 0.71 CTNNB1 (0.69) CTNNB1WNT3ANPC1RAB9AKMT2A
SCHEMBL15980187 0.71 LMNA (0.72) CTNNB1WNT3ANPC1RAB9AKMT2A
SCHEMBL15980180 0.71 CTNNB1 (0.60) CTNNB1WNT3ANPC1RAB9AKMT2A
SCHEMBL12857648 0.71 CTNNB1 (0.60) CTNNB1NPC1RAB9AKMT2AALDH1A1

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-3311666-A1 DIKETONES AND HYDROXYKETONES AS CATENIN SIGNALING PATHWAY ACTIVATORS Samumed, LLC (US) 2018-04-25 EP disclosed