SCHEMBL14432240

SCHEMBL14432240

Cc1cccc(C(N)CC(N)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
ANPEP P15144 1/20 0.42
ENPEP Q07075 1/20 0.42
ACP3 P15309 1/20 0.42
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP2C19 P33261 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
AOC3 Q16853 1/20 0.40
CYP26A1 O43174 1/20 0.39
SLC6A9 P48067 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
KIF11 P52732 3/20 0.38
BRD4 O60885 1/20 0.37

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
SCHEMBL27347770 0.86 KMT2A (0.55) PARP1L3MBTL1ANPEPENPEPACP3
SCHEMBL2858374 0.86 KMT2A (0.55) PARP1L3MBTL1ANPEPENPEPACP3
SCHEMBL3510648 0.86 KMT2A (0.55) PARP1L3MBTL1ANPEPENPEPACP3
SCHEMBL11075538 0.84 PARP1 (0.47) PARP1L3MBTL1ACP3SMN1; SMN2CYP2C19
SCHEMBL7562318 0.83 PARP1 (0.46) PARP1L3MBTL1ACP3CYP2C19TDP1
SCHEMBL12883182 0.83 PARP1 (0.46) PARP1L3MBTL1ACP3CYP2C19TDP1
SCHEMBL18516122 0.82 AOC3 (0.43) L3MBTL1ANPEPENPEPACP3KMT2A
SCHEMBL15471647 0.81 TDP1 (0.45) PARP1L3MBTL1ACP3CYP2C19TDP1
SCHEMBL7107654 0.81 KYNU (0.51) PARP1L3MBTL1ANPEPENPEPKMT2A
SCHEMBL17210729 0.79 KMT2A (0.48) PARP1L3MBTL1ANPEPENPEPACP3

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-1490371-B1 THIOPHENE-BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL MYERS SQUIBB CO (US) 2007-08-15 EP disclosed