SCHEMBL7105915

SCHEMBL7105915

CC(C)n1ncc(NC(=O)CCCC(=O)O)c1N

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
MAPK1 P28482 2/20 0.39
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.37
SHMT2 P34897 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL7110215 0.85 GAA (0.44) GAAKDM4ETDP1KMT2AHTT
SCHEMBL7108391 0.76 KDM4E (0.41) GAAKDM4ETDP1KMT2ATSHR
SCHEMBL7109805 0.75 TSHR (0.59) GAAKDM4ETDP1TSHRHTT
SCHEMBL7109430 0.73 ALDH1A1 (0.53) KDM4ETDP1KMT2ATSHRHTT
SCHEMBL6065170 0.70 HTT (0.47) KDM4EKMT2ATSHRHTTALDH1A1
SCHEMBL5413865 0.67 KMO (0.34) KDM4ETSHRCYP2C19ALDH1A1
SCHEMBL7107677 0.66 TSHR (0.57) GAAKDM4ETDP1KMT2ATSHR
SCHEMBL1694496 0.66 KDM4E (0.48) KDM4ETDP1KMT2AALDH1A1POLB
SCHEMBL17451394 0.65 HDAC1 (0.78)
SCHEMBL21665202 0.65 HTT (0.60) GAAKDM4ETDP1KMT2AHTT

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-1348700-A2 Composition and method for dyeing dye-susceptible material Wella Aktiengesellschaft (DE) 2003-10-01 EP disclosed