SCHEMBL20043042

SCHEMBL20043042

B=NCC(=O)N(CC=C)CCS

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 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
SCHEMBL20043053 0.85 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPT
SCHEMBL20043056 0.83
SCHEMBL20043046 0.81 ALDH1A1 (0.35) ALDH1A1
SCHEMBL20043048 0.78 ALDH1A1 (0.33) ALDH1A1
SCHEMBL20043057 0.76 ALDH1A1 (0.39) ALDH1A1
SCHEMBL19818227 0.75
SCHEMBL20362570 0.73
SCHEMBL1656857 0.67 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2MAPT
SCHEMBL20043040 0.67 ZDHHC20 (0.31)
SCHEMBL3853850 0.64 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2MAPT

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