SCHEMBL3244689

SCHEMBL3244689

O=Cc1ccccc1-c1ccc(NCCc2ccccc2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.42
HDAC1 Q13547 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CNR2 P34972 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
XDH P47989 1/20 0.39
MEN1 O00255 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ASPH Q12797 1/20 0.39
RIOX2 Q8IUF8 1/20 0.39
KDM8 Q8N371 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ACHE P22303 2/20 0.38
PIM1 P11309 2/20 0.38

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
SCHEMBL3245564 0.84 CYP1A2 (0.55) HIF1ACNR2TAAR1ALDH1A1LMNA
SCHEMBL3242098 0.78 PDE10A (0.45) HDAC6CNR2XDHACHERAB9A
SCHEMBL3241788 0.77 PDE10A (0.46) DRD2DRD4XDHACHEPIM1
SCHEMBL3244122 0.73 GPR55 (0.58) HIF1ASMN1; SMN2ALDH1A1PIM1LMNA
SCHEMBL11562300 0.72 HCAR3 (0.66) HDAC1HDAC3HDAC2HDAC6SMN1; SMN2
SCHEMBL3249123 0.72 HDAC1 (0.48) HDAC1HDAC3HDAC2HDAC6
SCHEMBL3262264 0.71 TRIM24 (0.41) KMT2ASMN1; SMN2XDHMEN1KDM4E
SCHEMBL11561635 0.70 RAB9A (0.63) KMT2ASMN1; SMN2MEN1TAAR1KDM4E
SCHEMBL4967404 0.70 HRH4 (0.52) HDAC1SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL3238112 0.70 HIF1A (0.45) HIF1AHDAC1HDAC6SMN1; SMN2

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