SCHEMBL3817488

SCHEMBL3817488

N[C@@H](Cc1ccccc1)C(=O)Nc1nc(C(=O)O)cs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
CTSC P53634 2/20 0.50
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49
POLB P06746 1/20 0.47
SLC15A1 P46059 1/20 0.47
ALPI P09923 1/20 0.45
PKM P14618 1/20 0.45
PTGS1 P23219 1/20 0.45
XIAP P98170 1/20 0.45
SLC7A5 Q01650 1/20 0.45
MME P08473 1/20 0.45
LTA4H P09960 1/20 0.45
HDAC6 Q9UBN7 1/20 0.44
GPR142 Q7Z601 2/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
HSPA1A P0DMV8 1/20 0.43

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
SCHEMBL27677789 1.00 L3MBTL1 (0.54) L3MBTL1CTSCTP53MAPK1POLB
SCHEMBL28767638 1.00 L3MBTL1 (0.54) L3MBTL1CTSCTP53MAPK1POLB
SCHEMBL27677872 0.89 L3MBTL1 (0.50) L3MBTL1TP53MAPK1MMEGPR142
SCHEMBL27677869 0.89 L3MBTL1 (0.50) L3MBTL1TP53MAPK1MMEGPR142
SCHEMBL3813895 0.88 NPC1 (0.49) L3MBTL1CTSCTP53MAPK1SLC15A1
SCHEMBL3816209 0.88 NPC1 (0.49) L3MBTL1CTSCTP53MAPK1SLC15A1
SCHEMBL3813898 0.88 NPC1 (0.49) L3MBTL1CTSCTP53MAPK1SLC15A1
SCHEMBL27696375 0.87 ROCK2 (0.52) L3MBTL1MMP1MMP2MMP9MMP13
SCHEMBL27696373 0.87 ROCK2 (0.52) L3MBTL1MMP1MMP2MMP9MMP13
SCHEMBL28767617 0.86 L3MBTL1 (0.50) L3MBTL1CTSCTP53MAPK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101023079-B Substituted hydantoins for the treatment of cancer HOFFMANN LA ROCHE 2010-05-05 CN disclosed
EP-1791837-B1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2009-08-19 EP disclosed
CN-101023079-A Substituted hydantoins for the treatment of cancer HOFFMANN LA ROCHE (CH) 2007-08-22 CN disclosed