SCHEMBL7953476

SCHEMBL7953476

CC(C)([CH]C(=O)NCc1cccnc1)C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.61
USP2 O75604 1/20 0.58
ALDH1A1 P00352 4/20 0.54
MAPT P10636 2/20 0.54
LMNA P02545 2/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 2/20 0.51
PKM P14618 1/20 0.51
THRB P10828 1/20 0.51
POLB P06746 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 1/20 0.49
FES P07332 1/20 0.49
RET P07949 1/20 0.49
MARK3 P27448 1/20 0.49
TYK2 P29597 1/20 0.49
FLT4 P35916 1/20 0.49
SYK P43405 1/20 0.49
CLK2 P49760 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49

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
SCHEMBL7960109 0.83 ALDH1A1 (0.54) ALDH1A1MAPTLMNAHTTL3MBTL1
SCHEMBL2698425 0.80 USP2 (0.70) RECQLUSP2ALDH1A1MAPTLMNA
SCHEMBL7868094 0.78 TP53 (0.57) ALDH1A1LMNAHTTKMT2APKM
SCHEMBL4747913 0.77 RECQL (0.62) RECQLUSP2ALDH1A1MAPTLMNA
SCHEMBL29550751 0.77 RECQL (1.00) RECQLUSP2ALDH1A1MAPTLMNA
SCHEMBL163993 0.77 RECQL (1.00) RECQLUSP2ALDH1A1MAPTLMNA
SCHEMBL10157136 0.76 USP2 (0.65) RECQLUSP2ALDH1A1MAPTLMNA
SCHEMBL774098 0.76 USP2 (0.68) RECQLUSP2ALDH1A1MAPTLMNA
SCHEMBL7756436 0.76 RECQL (0.64) RECQLUSP2ALDH1A1MAPTLMNA
SCHEMBL31321074 0.76 USP2 (0.68) RECQLUSP2ALDH1A1MAPTLMNA

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
US-6172064-B1 METALLOPROTEASE INHIBITOR; ANTIARTHRITIC AGENTS, ANTIDIABETIC AGENTS; ANTITUMOR AGENTS GLAXO WELLCOME INC. 2001-01-09 US disclosed