SCHEMBL16303451

SCHEMBL16303451

CNCCOCCNC(=O)CI

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.34
CA2 P00918 3/20 0.34
TSHR P16473 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA4 P22748 2/20 0.32
CA9 Q16790 2/20 0.32
CA14 Q9ULX7 2/20 0.32
LMNA P02545 1/20 0.32
MTNR1A P48039 3/20 0.31
MTNR1B P49286 2/20 0.31
EPHX2 P34913 1/20 0.31
TLR2 O60603 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GLA P06280 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL22214463 0.98 MEN1 (0.44) MEN1KMT2ASMN1; SMN2CA2TSHR
SCHEMBL752059 0.84 EPHX2 (0.44) MEN1KMT2ASMN1; SMN2CA2TSHR
SCHEMBL17915501 0.82 MEN1 (0.44) MEN1KMT2ASMN1; SMN2CA2TSHR
SCHEMBL19607890 0.82 TSHR (0.44) MEN1KMT2ASMN1; SMN2CA2TSHR
SCHEMBL16303444 0.82 TSHR (0.44) MEN1KMT2ASMN1; SMN2CA2TSHR
SCHEMBL16096657 0.82 SMN1; SMN2 (0.39) MEN1KMT2ASMN1; SMN2CA2TSHR
SCHEMBL14274645 0.82 MEN1 (0.52) MEN1KMT2ASMN1; SMN2TSHRMTNR1A
SCHEMBL16303438 0.81 MEN1 (0.35) MEN1KMT2ACA2TSHRMTNR1A
SCHEMBL16303480 0.81 MEN1 (0.39) MEN1KMT2ASMN1; SMN2CA2TSHR
SCHEMBL25779299 0.81 MEN1 (0.39) MEN1KMT2ASMN1; SMN2CA2CA12

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-2014200682-A1 BIDENTATE-BINDING MODULATORS OF LRRK2 AND JNK KINASES THE SCRIPPS RESEARCH INSTITUTE (US) 2014-12-18 WO disclosed