SCHEMBL3249382

SCHEMBL3249382

Oc1ccc(-c2ccc(Nc3cccc(Oc4ccccc4)c3)nc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.49
LTA4H P09960 1/20 0.42
NR1H2 P55055 1/20 0.42
BAX Q07812 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
SYK P43405 1/20 0.41
MEN1 O00255 3/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPK1 P28482 2/20 0.40
TP53 P04637 1/20 0.40
GALK1 P51570 1/20 0.40
CASP6 P55212 1/20 0.40
MCL1 Q07820 1/20 0.40
PLEC Q15149 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL3241814 0.84 KDR (0.46) KDRSIRT2SIRT1ACACBACACA
SCHEMBL3240510 0.80 KDR (0.45) KDRSIRT2SIRT1MEN1MAPT
SCHEMBL3247913 0.79 KDR (0.52) KDRLTA4HSIRT2SIRT1SYK
SCHEMBL3656146 0.73 HDAC6 (0.51) SYKMEN1MAPTKMT2ATP53
SCHEMBL12700595 0.72 ALDH1A1 (0.58) KDRLTA4HSIRT2SIRT1SYK
SCHEMBL29818053 0.71 MAPT (0.64) MEN1MAPTKMT2AMAPK1TP53
SCHEMBL3653527 0.71 MAOB (0.47) SIRT2MEN1MAPTKMT2ACASP6
SCHEMBL2087212 0.70 ALDH1A1 (0.62) KDRLTA4HSIRT2SIRT1SYK
SCHEMBL2906301 0.70 LTA4H (0.64) LTA4HNR1H2BAXMEN1MAPT
SCHEMBL3246352 0.70 CTSC (0.53) SYKMEN1MAPTKMT2ACTSC

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
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO claimed
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO disclosed
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO disclosed