SCHEMBL7574343

SCHEMBL7574343

CC(CO)NC(=O)C(C)(C)N=NC(C)(C)C(=O)NC(C)CO

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.32
ALDH1A1 P00352 1/20 0.32
THRB P10828 1/20 0.32
CNR2 P34972 1/20 0.32
BLM P54132 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CNR1 P21554 4/20 0.30
TNF P01375 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
ADAM17 P78536 1/20 0.30
RIPK1 Q13546 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
SCHEMBL6435420 0.81 RIPK1 (0.31) RIPK1
SCHEMBL6435427 0.81 RIPK1 (0.31) RIPK1
SCHEMBL14707759 0.80 ASAH1 (0.38) KCNK3ALDH1A1THRBCNR2BLM
SCHEMBL14707758 0.80 ASAH1 (0.38) KCNK3ALDH1A1THRBCNR2BLM
SCHEMBL4348828 0.80 KCNK3 (0.34) KCNK3ALDH1A1THRBCNR2BLM
SCHEMBL13887653 0.80 ASAH1 (0.38) KCNK3ALDH1A1THRBCNR2BLM
SCHEMBL7956648 0.78 SIGMAR1 (0.37) ALDH1A1CYP3A4CYP2C9CYP2C19CA1
SCHEMBL7956652 0.78 SIGMAR1 (0.37) ALDH1A1CYP3A4CYP2C9CYP2C19CA1
SCHEMBL7586491 0.76 TDP1 (0.39) TDP1CA1CA2CNR1MMP1
SCHEMBL20669502 0.76 TDP1 (0.39) TDP1CA1CA2CNR1MMP1

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-0957114-B1 Azoamide compounds and their use as polymerisation initiators WAKO PURE CHEM IND LTD (JP) 2002-09-25 EP disclosed
US-6031084-A Azoamide compound WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2000-02-29 US disclosed
EP-0957114-A1 Azoamide compounds and their use as polymerisation initiators Wako Pure Chemical Industries, Ltd. (JP) 1999-11-17 EP disclosed