SCHEMBL20043053

SCHEMBL20043053

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

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.30
DPP4 P27487 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
SCHEMBL20043042 0.85 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MAPT
SCHEMBL20043057 0.79 ALDH1A1 (0.39) ALDH1A1
SCHEMBL9464507 0.75 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2POLBMAPTKDM4E
SCHEMBL16350574 0.74 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2POLBMAPTKDM4E
SCHEMBL362773 0.74 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2POLBMAPTKDM4E
SCHEMBL6160104 0.72 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2POLBMAPTKDM4E
SCHEMBL3305715 0.72 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2POLBMAPTKDM4E
SCHEMBL5485685 0.72 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2POLBMAPTKDM4E
SCHEMBL6160109 0.72 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2POLBMAPTKDM4E
N,N-Diallyl-2-Chloroacetamide SCHEMBL4886939 0.70 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2POLBMAPTKDM4E

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