SCHEMBL20043043

SCHEMBL20043043

B=NCCN(CCSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)CCSCCN(CC=C)C(=O)CN=B

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
CCR6 P51684 1/20 0.32

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
SCHEMBL20043045 0.90
SCHEMBL20043070 0.88 KIF11 (0.40) KIF11ALDH1A1LMNAHPGDALOX12
SCHEMBL20043075 0.80 ALDH1A1 (0.50) ALDH1A1HPGD
SCHEMBL20043046 0.80 ALDH1A1 (0.35) ALDH1A1HPGD
SCHEMBL20043048 0.77 ALDH1A1 (0.33) ALDH1A1HPGD
SCHEMBL20043044 0.77 KIF11 (0.38) KIF11
SCHEMBL20043073 0.72 KIF11 (0.38) KIF11
SCHEMBL20043057 0.70 ALDH1A1 (0.39) ALDH1A1
SCHEMBL6924710 0.65 KIF11 (0.54) KIF11
SCHEMBL20043069 0.64 MAPT (0.43) KIF11ALDH1A1LMNAHPGDALOX12

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-20180100036-A1 CLICK NUCLEIC ACID POLYMERS AND METHODS OF USE UNIV COLORADO REGENTS (US) 2018-04-12 US disclosed