SCHEMBL28628474

SCHEMBL28628474

NC(=O)c1cc(OC2CCOC2)c(NCC=CCNC(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 16/20 0.39
PDE4A P27815 9/20 0.39
PDE4B Q07343 9/20 0.39
PDE4C Q08493 9/20 0.39
KMT2A Q03164 1/20 0.36
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
STING1 Q86WV6 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL28628473 1.00 PDE4D (0.39) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL28628148 0.87 PDE4D (0.41) PDE4DPDE4APDE4BPDE4CF2
SCHEMBL28628145 0.87 PDE4D (0.41) PDE4DPDE4APDE4BPDE4CF2
SCHEMBL28552449 0.82 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL19436491 0.81 MAPT (0.41) KMT2A
SCHEMBL19436492 0.81 MAPT (0.41) KMT2A
SCHEMBL19436494 0.81 MAPT (0.41) KMT2A
SCHEMBL21158083 0.76 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL21157504 0.76 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL21643836 0.76 KMT2A (0.41) KMT2A

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
CN-110016025-B Immunomodulator 成都先导药物开发股份有限公司 2021-08-06 CN disclosed