SCHEMBL30805804

SCHEMBL30805804

CC1(O)CCC(CNc2c([N+](=O)[O-])cc(S(N)(=O)=O)c3nc[nH]c23)CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
BCL2 P10415 12/20 0.34
BCL2L1 Q07817 10/20 0.32
VCP P55072 1/20 0.31
BRD4 O60885 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
SCHEMBL30805801 0.87 KDM4E (0.36) KDM4EMEN1ALDH1A1LMNAHTT
SCHEMBL25224949 0.86 RORC (0.36) KDM4EMEN1ALDH1A1LMNAHTT
SCHEMBL30414817 0.79 MEN1 (0.37) KDM4EMEN1ALDH1A1LMNAHTT
SCHEMBL25220703 0.79 MEN1 (0.37) KDM4EMEN1ALDH1A1LMNAHTT
SCHEMBL30805808 0.78 GSTP1 (0.38) MEN1ALDH1A1LMNAKMT2ABCL2
SCHEMBL29482112 0.76 NPY5R (0.38) KDM4EMEN1ALDH1A1LMNAHTT
SCHEMBL30447634 0.75 MEN1 (0.31) MEN1KMT2A
SCHEMBL29748008 0.75 CNR2 (0.39) KDM4EMEN1ALDH1A1LMNAHTT
SCHEMBL31019217 0.74 KCNH2 (0.39) ALDH1A1BCL2BCL2L1VCP
SCHEMBL30311297 0.73 PRKCQ (0.36) BRD4

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
CN-118215661-A Compounds as BCL-2 inhibitors 重庆复创医药研究有限公司 2024-06-18 CN disclosed
WO-2024032776-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2024-02-15 WO disclosed