SCHEMBL1007147

SCHEMBL1007147

CCN(CC)C(=O)c1ccc2nc[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.56
RAB9A P51151 5/20 0.55
ALDH1A1 P00352 4/20 0.55
HPGD P15428 3/20 0.55
KDM4E B2RXH2 3/20 0.55
HTT P42858 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 1/20 0.55
CTNNB1 P35222 1/20 0.55
WNT3A P56704 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
KMT2A Q03164 4/20 0.51
NPC1 O15118 4/20 0.51
MEN1 O00255 1/20 0.51
POLB P06746 4/20 0.51
MAPT P10636 2/20 0.51
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 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
SCHEMBL1007145 0.88 HPGD (0.55) HDAC6RAB9AALDH1A1HPGDKDM4E
SCHEMBL30265383 0.84 HDAC6 (0.55) HDAC6RAB9AALDH1A1HPGDKDM4E
SCHEMBL4961972 0.83 HDAC6 (0.60) HDAC6RAB9AALDH1A1HPGDKDM4E
SCHEMBL17802748 0.81 HDAC6 (0.55) HDAC6RAB9AALDH1A1HPGDKDM4E
SCHEMBL30265092 0.81 HDAC6 (0.57) HDAC6RAB9AALDH1A1HPGDKDM4E
SCHEMBL30265374 0.80 HTT (0.60) HDAC6RAB9AALDH1A1KDM4EHTT
SCHEMBL12094848 0.80 CTNNB1 (0.67) HDAC6RAB9AALDH1A1HPGDKDM4E
Alcohol SCHEMBL28171577 0.79 RAB9A (0.61) HDAC6RAB9AALDH1A1HPGDKDM4E
SCHEMBL3727881 0.78 HDAC6 (0.58) HDAC6RAB9AALDH1A1HPGDKDM4E
SCHEMBL1534631 0.78 HDAC6 (0.55) HDAC6RAB9AALDH1A1HPGDKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268273-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2011-01-05 EP disclosed
WO-2009067410-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2009-05-28 WO disclosed