SCHEMBL7587689

SCHEMBL7587689

CC(C)(/N=N/C(C)(C)C(=N)NCC(=O)O)C(=N)NCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTH P32929 1/20 0.39
EGLN1 Q9GZT9 2/20 0.38
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.36
PTGS2 P35354 1/20 0.36
ECE1 P42892 1/20 0.36
POLB P06746 2/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
APEX1 P27695 1/20 0.33
PLA2G2A P14555 1/20 0.32
MME P08473 1/20 0.32
ACE P12821 1/20 0.32
CPA1 P15085 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
HMGCR P04035 1/20 0.30
CHRM1 P11229 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
SCHEMBL7587710 1.00 CTH (0.39) CTHEGLN1ALDH1A1MAPTTDP1
SCHEMBL178168 0.80 ECE1 (0.40) ALDH1A1MAPTECE1KMT2ACYP3A4
SCHEMBL29136617 0.80 ECE1 (0.40) ALDH1A1MAPTECE1KMT2ACYP3A4
SCHEMBL178169 0.80 ECE1 (0.40) ALDH1A1MAPTECE1KMT2ACYP3A4
SCHEMBL786150 0.80 ECE1 (0.40) ALDH1A1MAPTECE1KMT2ACYP3A4
Water SCHEMBL158122 0.79 ECE1 (0.39) ALDH1A1MAPTECE1KMT2ACYP3A4
Water SCHEMBL27080 0.79 ECE1 (0.39) ALDH1A1MAPTECE1KMT2ACYP3A4
Hydrochloric Acid SCHEMBL6055023 0.79 ECE1 (0.39) ALDH1A1MAPTECE1KMT2ACYP3A4
Water SCHEMBL502962 0.79 ECE1 (0.39) ALDH1A1MAPTECE1KMT2ACYP3A4
Hydrochloric Acid SCHEMBL7084741 0.79 ECE1 (0.39) ALDH1A1MAPTECE1KMT2ACYP3A4

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-0939075-B1 A novel azoamidine compound WAKO PURE CHEM IND LTD (JP) 2002-01-09 EP disclosed
US-6049003-A POLYMERIZATION INITIATOR WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2000-04-11 US disclosed
EP-0939075-A1 A novel azoamidine compound Wako Pure Chemical Industries, Ltd. (JP) 1999-09-01 EP disclosed