SCHEMBL3430808

SCHEMBL3430808

CC(O)C(Nc1ccc(C#N)c2ccccc12)C(=O)NNC(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
CTSL P07711 5/20 0.35
CTSS P25774 2/20 0.35
CTSB P07858 1/20 0.35
CTSK P43235 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC22A12 Q96S37 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
CFTR P13569 1/20 0.33

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
SCHEMBL1365004 1.00 L3MBTL1 (0.36) L3MBTL1CTSLCTSSCTSBCTSK
SCHEMBL1365748 1.00 L3MBTL1 (0.36) L3MBTL1CTSLCTSSCTSBCTSK
SCHEMBL1363199 0.93 MAOA (0.39) L3MBTL1NPC1RAB9A
SCHEMBL1365002 0.86 CXCR1 (0.38) L3MBTL1CTSLCTSSCTSBCTSK
SCHEMBL12140344 0.86 CXCR1 (0.38) L3MBTL1CTSLCTSSCTSBCTSK
SCHEMBL12140312 0.86 CXCR1 (0.38) L3MBTL1CTSLCTSSCTSBCTSK
SCHEMBL12306450 0.86 L3MBTL1 (0.35) L3MBTL1CTSLCTSSCTSBCTSK
SCHEMBL1363809 0.86 RAB9A (0.34) L3MBTL1CTSLCTSSCTSBCTSK
SCHEMBL1364446 0.86 RAB9A (0.34) L3MBTL1CTSLCTSSCTSBCTSK
SCHEMBL1365319 0.84 AR (0.43) L3MBTL1KDM4E

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-2260028-A2 SELECTIVE ANDROGEN RECEPTOR MODULATORS Radius Health, Inc. (US) 2010-12-15 EP disclosed
WO-2009105214-A2 SELECTIVE ANDROGEN RECEPTOR MODULATORS RADIUS HEALTH, INC. (US) 2009-08-27 WO disclosed