SCHEMBL789490

SCHEMBL789490

CC(C)(C)[N+]1(C(=O)[O-])CC[C@@H](CNC(=O)NNC(=O)c2ccc(Br)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.42
HDAC1 Q13547 4/20 0.42
HDAC2 Q92769 4/20 0.42
POLB P06746 2/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CYP1A2 P05177 1/20 0.35
ATM Q13315 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 2/20 0.34
ALDH1A1 P00352 2/20 0.34
UBE2N P61088 1/20 0.34

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
SCHEMBL14720417 0.81 HDAC3 (0.41) HDAC3HDAC1HDAC2NPC1RAB9A
SCHEMBL2299342 0.76 KMT2A (0.44) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL14720415 0.71 DRD2 (0.38) POLBRAB9AMEN1KMT2ALMNA
SCHEMBL3830768 0.70 NQO2 (0.32) POLBMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3915360 0.70 NQO2 (0.32) POLBMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL15064459 0.69 KDM4E (0.57) HDAC3HDAC1HDAC2POLBMEN1
SCHEMBL12474426 0.68 HDAC3 (0.50) HDAC3HDAC1HDAC2LMNAGAA
SCHEMBL15064415 0.66 HDAC3 (0.45) HDAC3HDAC1HDAC2POLBKMT2A
SCHEMBL15064460 0.66 HDAC3 (0.43) HDAC3HDAC1HDAC2POLBCTDSP1
SCHEMBL5630219 0.65 HDAC3 (0.62) HDAC3HDAC1HDAC2MEN1KMT2A

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-2616071-A2 FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-07-24 EP disclosed
WO-2012037299-A2 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed