SCHEMBL20043070

SCHEMBL20043070

B=NCC(=O)N(CC=C)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 15/20 0.40
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
CCR6 P51684 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.33

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
SCHEMBL20043043 0.88 KIF11 (0.33) KIF11ALDH1A1LMNAHPGDALOX12
SCHEMBL20043073 0.82 KIF11 (0.38) KIF11
SCHEMBL20043045 0.79
SCHEMBL20043044 0.77 KIF11 (0.38) KIF11
SCHEMBL20043057 0.71 ALDH1A1 (0.39) ALDH1A1
SCHEMBL20043059 0.71 TK2 (0.43) HPGD
SCHEMBL4806285 0.71 KIF11 (0.46) KIF11
SCHEMBL6924710 0.71 KIF11 (0.54) KIF11
SCHEMBL20043053 0.71 ALDH1A1 (0.54) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL20043061 0.70 EGFR (0.53) ALDH1A1

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