SCHEMBL5807482

SCHEMBL5807482

COC(=O)c1ccc(C=C(CNc2cnc3ccccc3c2)COc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.43
ALPL P05186 1/20 0.42
RAB9A P51151 5/20 0.42
NPC1 O15118 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
CTDSP1 Q9GZU7 2/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FAAH O00519 1/20 0.40
GLO1 Q04760 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 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
SCHEMBL5795580 0.95 HDAC6 (0.45) HDAC6ALPLRAB9ANPC1SMN1; SMN2
SCHEMBL5799615 0.92 HDAC6 (0.43) HDAC6ALPLRAB9ANPC1SMN1; SMN2
SCHEMBL5799635 0.92 HDAC6 (0.45) HDAC6RAB9ANPC1MAPTKMT2A
SCHEMBL5797910 0.91 TDP1 (0.44) HDAC6ALPLRAB9ANPC1SMN1; SMN2
SCHEMBL5796821 0.90 FAAH (0.44) HDAC6ALPLRAB9ANPC1SMN1; SMN2
SCHEMBL5796186 0.90 HDAC6 (0.41) HDAC6ALPLRAB9ANPC1SMN1; SMN2
SCHEMBL5799746 0.90 HDAC6 (0.41) HDAC6ALPLRAB9ANPC1SMN1; SMN2
SCHEMBL5796659 0.90 HDAC6 (0.56) HDAC6RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL5796657 0.90 HDAC6 (0.56) HDAC6RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL5813364 0.89 ALPL (0.46) HDAC6ALPLRAB9ANPC1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006025683-A1 ARYLAMINOMETHYL PROPENYL BENZHYDROXYAMID DERIVATIVES WITH INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND METHOD FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-03-09 WO disclosed