SCHEMBL7944495

SCHEMBL7944495

CC(=O)Nc1ccc(C(=O)Nc2cc(-c3cccnc3)ccc2I)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.58
HDAC3 O15379 2/20 0.57
HDAC2 Q92769 2/20 0.57
ALDH1A1 P00352 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
KDM4E B2RXH2 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
ABCB1 P08183 5/20 0.54
HTT P42858 1/20 0.52
MKNK1 Q9BUB5 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
NAMPT P43490 2/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL2606701 0.89 HDAC1 (0.58) HDAC1HDAC3HDAC2ALDH1A1SMN1; SMN2
SCHEMBL2137319 0.88 HDAC1 (0.76) HDAC1HDAC3HDAC2
SCHEMBL7930500 0.86 ABCB1 (0.61) HDAC1HDAC3HDAC2ABCB1MKNK1
SCHEMBL11192637 0.80 NPC1 (0.65) ALDH1A1SMN1; SMN2KDM4ETDP1HTT
SCHEMBL29611891 0.80 NPC1 (0.65) ALDH1A1SMN1; SMN2KDM4ETDP1HTT
SCHEMBL15397972 0.77 HDAC1 (0.69) HDAC1HDAC3HDAC2
SCHEMBL7938657 0.77 HDAC1 (0.60) HDAC1HDAC3HDAC2
SCHEMBL4581935 0.76 HDAC1 (0.79) HDAC1HDAC3HDAC2
SCHEMBL11222723 0.75 CNR1 (0.64) ALDH1A1SMN1; SMN2HTTNPC1RAB9A
SCHEMBL27860531 0.75 HDAC1 (0.61) HDAC1HDAC3HDAC2ABCB1

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-2010065117-A1 INHIBITION OF HDAC2 TO PROMOTE MEMORY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-06-10 WO disclosed