SCHEMBL6505664

SCHEMBL6505664

NC(O)CN1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.67
ANPEP P15144 1/20 0.57
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 5/20 0.46
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KEAP1 Q14145 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.40

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
SCHEMBL4583144 0.82
SCHEMBL22278256 0.80 USP2 (0.73) USP2ANPEPALDH1A1MEN1KMT2A
SCHEMBL4201455 0.80 USP2 (0.58) USP2ANPEPALDH1A1MEN1KMT2A
SCHEMBL13024067 0.80 USP2 (0.73) USP2ANPEPALDH1A1MEN1KMT2A
SCHEMBL372508 0.80 USP2 (0.58) USP2ANPEPALDH1A1MEN1KMT2A
SCHEMBL709506 0.80 USP2 (1.00) USP2ANPEPALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL31053687 0.78 USP2 (0.56) USP2ANPEPALDH1A1MEN1KMT2A
SCHEMBL457031 0.77 USP2 (0.75) USP2ANPEPALDH1A1MEN1KMT2A
SCHEMBL6696422 0.77 USP2 (0.56) USP2ANPEPALDH1A1MEN1KMT2A
SCHEMBL2779513 0.77 USP2 (0.75) USP2ANPEPALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118184614-A Substituted benzo five-membered unsaturated heterocyclic compounds, and preparation method and application thereof 中国医学科学院医药生物技术研究所 2024-06-14 CN disclosed
CN-116947879-A BBI608 derivative, preparation method thereof and application thereof in preparing medicines for treating STAT3 mediated diseases 沈阳药科大学 2023-10-27 CN disclosed
CN-116332905-A (S) -N-phenyl-1- (pyridin-2-yl) pyrrolidine-2-carboxamide derivatives 上海翊石医药科技有限公司 2023-06-27 CN disclosed
WO-2005066190-A1 NEW RISEDRONATE SALTS HEXAL A/S (DK) 2005-07-21 WO disclosed