SCHEMBL1007145

SCHEMBL1007145

CCN(CC)C(=O)c1ccc2[nH]cnc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 10/20 0.55
ALDH1A1 P00352 5/20 0.55
LMNA P02545 2/20 0.55
HSP90AA1 P07900 5/20 0.48
HSP90AB1 P08238 5/20 0.48
TDP1 Q9NUW8 1/20 0.45
CYP1A2 P05177 1/20 0.44
BLM P54132 1/20 0.44
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
MLYCD O95822 1/20 0.42
CTNNB1 P35222 1/20 0.42
WNT3A P56704 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL1007147 0.88 HDAC6 (0.56) HPGDALDH1A1LMNATDP1MAPT
SCHEMBL3727867 0.83 HDAC6 (0.45) HPGDALDH1A1TDP1MAPTSMN1; SMN2
SCHEMBL6445178 0.82 MEN1 (0.54) HPGDALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL6208041 0.82 MAPT (0.43) HPGDALDH1A1MAPTSMN1; SMN2HDAC6
SCHEMBL3502643 0.82 L3MBTL1 (0.47) HPGDALDH1A1SMN1; SMN2HDAC6MEN1
SCHEMBL12647585 0.80 CTNNB1 (0.51) HPGDALDH1A1SMN1; SMN2HDAC6KMT2A
SCHEMBL6112686 0.78 KMT2A (0.41) HPGDALDH1A1TDP1MAPTSMN1; SMN2
SCHEMBL3776189 0.78 SLC2A1 (0.59) HPGDALDH1A1LMNATDP1BLM
SCHEMBL3790265 0.78 CTNNB1 (0.56) HPGDALDH1A1MAPTSMN1; SMN2HDAC6
SCHEMBL2355361 0.77 HTT (0.55) LMNATDP1SMN1; SMN2HDAC6MEN1

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 3 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
WO-2007091950-A1 BENZIMIDAZOLES AND IMIDAZOPYRIDINES USEFUL IN THE TREATMENT OF DISEASES OR DISORDERS ASSOCIATED WITH CANNABINOID RECEPTOR 2 (CB2) SUCH AS PAIN ASTRAZENECA AB (SE) 2007-08-16 WO disclosed