SCHEMBL21158083

SCHEMBL21158083

NC(=O)c1cc(O[C@@H]2CCOC2)c(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 16/20 0.44
PDE4A P27815 9/20 0.44
PDE4B Q07343 9/20 0.44
PDE4C Q08493 9/20 0.44
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
CTPS1 P17812 1/20 0.37

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
SCHEMBL21157504 1.00 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL28634248 1.00 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL21157492 0.91 POLB (0.41) PDE4BLMNAPOLBSMN1; SMN2MAPT
SCHEMBL29898969 0.91 POLB (0.41) PDE4BLMNAPOLBSMN1; SMN2MAPT
SCHEMBL3492009 0.84 PDE4D (0.50) PDE4DPDE4APDE4BPDE4CPOLB
SCHEMBL28630499 0.83 KMT2A (0.42) LMNAPOLBSMN1; SMN2MAPTKMT2A
SCHEMBL28552449 0.80 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL21158078 0.76 LMNA (0.41) LMNAPOLBSMN1; SMN2MAPTKMT2A
SCHEMBL30803028 0.76 LMNA (0.41) LMNAPOLBSMN1; SMN2MAPTKMT2A
SCHEMBL3798842 0.76 CASP6 (0.52) PDE4DPDE4APDE4BPDE4C

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-110016025-B Immunomodulator 成都先导药物开发股份有限公司 2021-08-06 CN disclosed
WO-2019134705-A1 IMMUNOMODULATOR 成都先导药物开发股份有限公司 2019-07-11 WO disclosed