SCHEMBL15745360

SCHEMBL15745360

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.38
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL17732616 0.92 CNR1 (0.41) CNR1ALDH1A1MEN1USP2MAPT
SCHEMBL35560 0.92 CNR1 (0.41) CNR1ALDH1A1MEN1USP2MAPT
SCHEMBL35559 0.92 CNR1 (0.41) CNR1ALDH1A1MEN1USP2MAPT
Water SCHEMBL31205630 0.90 CNR1 (0.41) CNR1ALDH1A1MEN1USP2MAPT
SCHEMBL17403671 0.85 CNR1 (0.38) CNR1ALDH1A1MEN1USP2MAPT
SCHEMBL12563617 0.85 CNR1 (0.41) CNR1ALDH1A1MEN1USP2MAPT
SCHEMBL11683038 0.83 CNR1 (0.37) CNR1ALDH1A1MEN1USP2MAPT
SCHEMBL3412629 0.81 EPHX1 (0.44) CNR1MEN1KMT2A
SCHEMBL17082484 0.81 CNR1 (0.36) CNR1ALDH1A1MEN1USP2MAPT
SCHEMBL19845118 0.81 CNR1 (0.37) CNR1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140147852-A1 NUCLEIC ACID AMPLIFICATION Life Technologies Corporation (US) 2014-05-29 US disclosed
US-20140148345-A1 NUCLEIC ACID AMPLIFICATION Life Technologies Corporation (US) 2014-05-29 US disclosed
US-20140147852-A1 NUCLEIC ACID AMPLIFICATION Life Technologies Corporation (US) 2014-05-29 US disclosed
US-20140148345-A1 NUCLEIC ACID AMPLIFICATION Life Technologies Corporation (US) 2014-05-29 US disclosed