SCHEMBL19607948

SCHEMBL19607948

CNC(=O)NCCOCCOC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
EPHX2 P34913 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.36
THRB P10828 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL13411699 0.92 KMT2A (0.52) MEN1KMT2AEPHX2SMN1; SMN2GAA
SCHEMBL19171879 0.89 KMT2A (0.48) MEN1KMT2AEPHX2SMN1; SMN2GAA
SCHEMBL2632920 0.87
SCHEMBL6286871 0.86 KMT2A (0.47) MEN1KMT2AEPHX2SMN1; SMN2GAA
SCHEMBL12339213 0.85 MEN1 (0.43) MEN1KMT2AEPHX2SMN1; SMN2GAA
SCHEMBL26669195 0.84 EPHX2 (0.51) MEN1KMT2AEPHX2SMN1; SMN2KEAP1
SCHEMBL19593906 0.84 KMT2A (0.46) MEN1KMT2AEPHX2SMN1; SMN2KEAP1
SCHEMBL6290245 0.84 MEN1 (0.46) MEN1KMT2AEPHX2SMN1; SMN2TSHR
SCHEMBL6290526 0.83 KMT2A (0.44) MEN1KMT2AEPHX2SMN1; SMN2GAA
SCHEMBL14984056 0.82 EPHX1 (0.47) MEN1KMT2AEPHX2SMN1; SMN2KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022111521-A1 AROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 杭州多域生物技术有限公司 2022-06-02 WO disclosed
WO-2017195880-A1 HYALURONIC ACID DERIVATIVE HAVING CATIONIC GROUP AND HYDROPHOBIC GROUP INTRODUCED THEREIN 中外製薬株式会社 2017-11-16 WO disclosed