SCHEMBL7796322

SCHEMBL7796322

C/C=C1\CN(C(=O)c2[nH]c3ccccc3c2-c2ccccc2)Cc2cc(C(=O)NO)sc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.41
ALDH1A1 P00352 10/20 0.40
KDM4E B2RXH2 7/20 0.40
HPGD P15428 4/20 0.40
MAP2 P11137 2/20 0.39
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
MAPT P10636 8/20 0.36
LMNA P02545 4/20 0.35
PAX8 Q06710 2/20 0.35
HTT P42858 2/20 0.34
GFER P55789 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HDAC6 Q9UBN7 3/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HDAC1 Q13547 1/20 0.34
RAB9A P51151 1/20 0.33

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
SCHEMBL7796321 0.80 HDAC6 (0.50) ALDH1A1HPGDMEN1KMT2AHDAC6
SCHEMBL1174363 0.80 GAA (0.44) GAAALDH1A1KDM4EHPGDMAP2
SCHEMBL7796483 0.74 HDAC6 (0.47) GAAMAPTLMNAHSD17B10HDAC6
SCHEMBL7787411 0.72 HRH4 (0.48) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL7787409 0.71 HDAC6 (0.47) ALDH1A1HPGDHDAC6L3MBTL1HDAC1
SCHEMBL10207566 0.69 HDAC6 (0.44) GAAALDH1A1KDM4EHPGDMAP2
SCHEMBL18092620 0.69 KDM4E (0.58) GAAALDH1A1KDM4EHPGDMAP2
SCHEMBL10207565 0.69 GAA (0.43) GAAALDH1A1KDM4EHPGDMAP2
SCHEMBL7795270 0.67 HPGD (0.43) ALDH1A1HPGDKMT2AMAPTHSD17B10
SCHEMBL10224072 0.67 HDAC6 (0.44) GAAALDH1A1KDM4EHPGDMAP2

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-2010151317-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 WO disclosed