SCHEMBL9563481

SCHEMBL9563481

Cc1ccc(-n2c(C)c(C)c(=O)n(C)c2=O)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.51
▸ TP53 P04637 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ GAA P10253 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HCAR1 Q9BXC0 1/20 0.38
▸ COMT P21964 1/20 0.38
▸ HPD P32754 2/20 0.37
▸ G6PD P11413 1/20 0.37
▸ ALOX15 P16050 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ GRM4 Q14833 1/20 0.35

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
SCHEMBL24405665 0.74 TP53 (0.53) NPSR1TP53ALDH1A1MAPTKDM4E
SCHEMBL11422161 0.69 NPSR1 (0.53) NPSR1TP53ALDH1A1MAPTKDM4E
SCHEMBL11841257 0.69 TP53 (0.45) NPSR1TP53ALDH1A1MAPTKDM4E
SCHEMBL26947280 0.67 NPSR1 (0.50) NPSR1TP53ALDH1A1MAPTKDM4E
SCHEMBL29485049 0.66 MGLL (0.59) NPSR1TP53ALDH1A1MAPTKDM4E
SCHEMBL717739 0.66 MGLL (0.59) NPSR1TP53ALDH1A1MAPTKDM4E
SCHEMBL17264593 0.65 BCHE (0.53) NPSR1TP53ALDH1A1MAPTKDM4E
SCHEMBL17572311 0.65 NPSR1 (0.47) NPSR1TP53ALDH1A1MAPTKDM4E
SCHEMBL13024384 0.64 ADORA2A (0.41) TP53ALDH1A1KDM4ELMNAHPGD
SCHEMBL3304568 0.63 ALDH1A1 (0.52) NPSR1TP53ALDH1A1MAPTKDM4E

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
EP-0543404-A1 Stereoselective method for the industrial preparation of 5-alkyl-2'-deoxy-beta-uridines Magyar Tudomanyos Akadémia Központi Kémiai Kutato Intézete (HU) 1993-05-26 — — EP disclosed
Send feedback