SCHEMBL3963418

SCHEMBL3963418

CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccccc2Br)CC1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
PARP1 P09874 2/20 0.55
LMNA P02545 2/20 0.55
THRB P10828 1/20 0.55
EPHX1 P07099 1/20 0.53
USP30 Q70CQ3 3/20 0.53
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.51
ALDH1A1 P00352 2/20 0.50
GPR119 Q8TDV5 1/20 0.50
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPC1 O15118 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL30826701 0.88 PARP1 (0.53) POLBPARP1LMNATHRBEPHX1
SCHEMBL13906740 0.86 POLB (0.58) POLBPARP1LMNATHRBEPHX1
SCHEMBL4960694 0.86 POLB (0.58) POLBPARP1LMNATHRBEPHX1
SCHEMBL1222596 0.84 POLB (0.56) POLBPARP1LMNATHRBEPHX1
SCHEMBL13199301 0.83 KDM4E (0.68) POLBLMNATHRBEPHX1USP30
SCHEMBL13261261 0.81 STS (0.54) KDM4EPKMGPR119KMT2A
SCHEMBL21088783 0.81 EPHX1 (0.51) POLBPARP1LMNATHRBEPHX1
SCHEMBL69769 0.81 ALDH1A1 (0.58) EPHX1USP30KDM4EPKMALDH1A1
SCHEMBL20944523 0.81 MEN1 (0.51) POLBPARP1LMNATHRBEPHX1
SCHEMBL26170172 0.80 PARP1 (0.48) POLBPARP1LMNATHRBEPHX1

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-2009036035-A1 BCL-2 INHIBITORS CURIS, INC. (US) 2009-03-19 WO disclosed