SCHEMBL8303043

SCHEMBL8303043

CC(C)(C)c1cn(N)c(=O)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
CRBN Q96SW2 1/20 0.39
TYMP P19971 1/20 0.34
ALDH1A1 P00352 2/20 0.33
DAO P14920 1/20 0.33
HPGD P15428 2/20 0.33
ERCC5 P28715 1/20 0.31
FEN1 P39748 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL18870686 0.75 TDP1 (0.52) TDP1CRBNDAO
SCHEMBL15422063 0.70
SCHEMBL20052235 0.67 TDP1 (0.47) TDP1CRBNDAO
SCHEMBL17041835 0.64 TDP1 (0.53) TDP1CRBNDAOHPGDPOLB
SCHEMBL18858880 0.63 TDP1 (0.52) TDP1CRBNTYMPDAOBLM
SCHEMBL17040216 0.63 TDP1 (0.52) TDP1CRBNALDH1A1DAOHPGD
SCHEMBL400005 0.62 TDP1 (1.00) TDP1CRBNALDH1A1POLB
SCHEMBL9190653 0.62 TDP1 (0.57) TDP1CRBNTYMPBLM
SCHEMBL9192590 0.62 TDP1 (0.57) TDP1CRBNALDH1A1HPGDLMNA
SCHEMBL13806371 0.58 CA12 (0.50) TDP1CRBNALDH1A1HPGDFEN1

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-0604365-B1 Imidazole derivatives and their use as agrochemical agents NOVARTIS AG (CH) 1999-05-26 EP disclosed
US-5679623-A PESTICIDES, INSECTICIDES CIBA-GEIGY CORPORATION (US) 1997-10-21 US disclosed
EP-0604365-A1 Imidazole derivatives and their use as agrochemical agents CIBA-GEIGY AG (CH) 1994-06-29 EP disclosed