SCHEMBL21883244

SCHEMBL21883244

NCC(O)Nc1ccn(C(=S)Nc2ccc(Cl)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 5/20 0.38
NPC1 O15118 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.34
ALDH1A1 P00352 3/20 0.34
CNR1 P21554 1/20 0.33
QPCT Q16769 1/20 0.33
HTT P42858 1/20 0.33
GAA P10253 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
SCHEMBL24221920 0.79 NPC1 (0.46) SMN1; SMN2LMNANPC1NPSR1MAPT
SCHEMBL21883139 0.74 SMN1; SMN2 (0.47) SMN1; SMN2LMNANPC1NPSR1MAPT
SCHEMBL21883516 0.72 MEN1 (0.50) SMN1; SMN2LMNANPC1NPSR1MAPT
SCHEMBL21883512 0.72 PLAU (0.48) SMN1; SMN2LMNANPC1NPSR1MAPT
SCHEMBL24221942 0.69 MEN1 (0.48) SMN1; SMN2LMNANPC1NPSR1MAPT
SCHEMBL21883129 0.69 MEN1 (0.46) SMN1; SMN2LMNANPC1NPSR1MAPT
SCHEMBL21883285 0.69 SMN1; SMN2 (0.44) SMN1; SMN2LMNANPC1NPSR1MAPT
SCHEMBL21883502 0.67 ALDH1A1 (0.46) SMN1; SMN2LMNANPSR1MAPTMEN1
SCHEMBL21883504 0.66 RAB9A (0.35) SMN1; SMN2LMNANPC1MAPTMEN1
SCHEMBL21807645 0.66 MAPT (0.47) SMN1; SMN2LMNANPC1NPSR1MAPT

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
WO-2020061412-A1 COMPOUNDS WITH COPPER- OR ZINC-ACTIVATED TOXICITY AGAINST MICROBIAL INFECTION KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2020-03-26 WO disclosed