SCHEMBL3645252

SCHEMBL3645252

CC(C)(C)c1nc(CC(N)=O)c[nH]1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
MAP3K7 O43318 3/20 0.33
TAB1 Q15750 3/20 0.33
SIRT1 Q96EB6 1/20 0.33
GAA P10253 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ALDH1A1 P00352 2/20 0.30
SCN10A Q9Y5Y9 1/20 0.30
ICMT O60725 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL21366340 0.81 KDM4E (0.42) GAAALDH1A1HSD17B10
SCHEMBL21366517 0.80 HDAC4 (0.33) ALDH1A1
SCHEMBL7676177 0.77 HTT (0.44) HTTSIRT1GAANPSR1ALDH1A1
SCHEMBL11306610 0.76 CCR1 (0.31)
SCHEMBL13877864 0.74 LMNA (0.36) MAP3K7TAB1ALDH1A1L3MBTL1
SCHEMBL2756555 0.74
Hydrochloric Acid SCHEMBL4540561 0.73 HTT (0.36) HTTGAANPSR1HSD17B10
SCHEMBL3643388 0.69 HTT (0.34) HTTMAP3K7TAB1
SCHEMBL20595245 0.67 HCAR2 (0.36) ALDH1A1L3MBTL1
SCHEMBL15471417 0.67 ALDH1A1 (0.31) ALDH1A1

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-2167474-A1 UROCANIC ACID DERIVATIVES USEFUL FOR THE TREATMENT OF IMMUNE-RELATED AND INFLAMMATORY DISEASES Valletta Health IP EE B.V. (NL) 2010-03-31 EP disclosed
WO-2008153385-A1 UROCANIC ACID DERIVATIVES USEFUL FOR THE TREATMENT OF IMMUNE-RELATED AND INFLAMMATORY DISEASES VALLETTA HEALTH B.V. (NL) 2008-12-18 WO disclosed