SCHEMBL31479802

SCHEMBL31479802

NC(=O)C1(N2CCNCC2)COC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.32
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
CHKA P35790 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRNB3 Q05901 1/20 0.31
CHRNA6 Q15825 1/20 0.31
HSD11B1 P28845 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
SCHEMBL994300 0.81 KDM4E (0.34) CA2KDM4EKMT2ACA12CA1
Hydrochloric Acid SCHEMBL994141 0.80 KDM4E (0.33) KDM4EKMT2A
SCHEMBL5200587 0.77 ALDH1A1 (0.42) CA2KDM4EKMT2ACHKA
SCHEMBL17154982 0.77 MEN1 (0.32) KMT2A
SCHEMBL31479028 0.77
Hydrochloric Acid SCHEMBL6503554 0.76 ALDH1A1 (0.41) CA2KDM4ECHKA
SCHEMBL20054301 0.76 ALDH1A1 (0.33)
SCHEMBL2397318 0.74 KDM4E (0.38) KDM4EKMT2A
SCHEMBL8177031 0.71 ALDH1A1 (0.46) KDM4EKMT2A
SCHEMBL6544388 0.71 ALDH1A1 (0.43) KDM4EKMT2A

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-2025067111-A1 MENIN-MLL INTERACTION INHIBITOR AND PREPARATION METHOD THEREFOR, AND APPLICATION 苏州必扬医药科技有限公司 2025-04-03 WO disclosed