SCHEMBL5797650

SCHEMBL5797650

N#Cc1ccc(OCC(=Cc2ccc(C(=O)O)cc2)CNc2cnc3ccccc3c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.43
PKM P14618 2/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KMT2A Q03164 7/20 0.41
MEN1 O00255 5/20 0.41
CTDSP1 Q9GZU7 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
ALDH1A1 P00352 3/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDR P35968 1/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39
ALPL P05186 1/20 0.39

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
SCHEMBL5796656 0.92 HDAC6 (0.47) HDAC6PKMSMN1; SMN2KMT2AMEN1
SCHEMBL5799746 0.91 HDAC6 (0.41) HDAC6PKMMAPK1SMN1; SMN2RXFP1
SCHEMBL5810902 0.91 HDAC6 (0.55) HDAC6PKMMAPK1SMN1; SMN2RXFP1
SCHEMBL5799635 0.90 HDAC6 (0.45) HDAC6KMT2AMEN1CTDSP1TDP1
SCHEMBL5798867 0.90 HDAC6 (0.45) HDAC6PKMSMN1; SMN2KMT2AMEN1
SCHEMBL5796521 0.89 PLA2G4B (0.47) HDAC6PKMKMT2AMEN1CTDSP1
SCHEMBL5796116 0.87 HDAC6 (0.42) HDAC6SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL5799534 0.87 POLB (0.42) HDAC6PKMSMN1; SMN2KMT2AMEN1
SCHEMBL5813256 0.86 HDAC6 (0.44) HDAC6SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL5798752 0.84 HDAC6 (0.60) HDAC6PKMSMN1; SMN2ALDH1A1LMNA

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