SCHEMBL21156963

SCHEMBL21156963

NC(=O)c1cc(OCCC2COC2)c(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 5/20 0.39
PRSS1 P07477 4/20 0.39
PARP1 P09874 1/20 0.36
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CYP3A4 P08684 1/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
HTT P42858 1/20 0.34
PKM P14618 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
SCHEMBL30803028 0.88 LMNA (0.41) LMNASMN1; SMN2POLBMAPTPRSS1
SCHEMBL21158078 0.88 LMNA (0.41) LMNASMN1; SMN2POLBMAPTPRSS1
SCHEMBL28548657 0.88 MAPT (0.39) LMNASMN1; SMN2POLBMAPTKMT2A
SCHEMBL19451492 0.83 PRSS1 (0.51) LMNASMN1; SMN2POLBMAPTPRSS1
SCHEMBL28548646 0.81 MAPT (0.41) LMNASMN1; SMN2POLBMAPTPRSS1
SCHEMBL20066443 0.81 HPGD (0.45) LMNASMN1; SMN2POLBMAPTPRSS1
SCHEMBL22121012 0.80 PRSS1 (0.46) LMNASMN1; SMN2POLBMAPTPRSS1
SCHEMBL21157492 0.80 POLB (0.41) LMNASMN1; SMN2POLBMAPTPARP1
SCHEMBL29898969 0.80 POLB (0.41) LMNASMN1; SMN2POLBMAPTPARP1
SCHEMBL30803074 0.80 PARP15 (0.46) LMNASMN1; SMN2POLBMAPTPRSS1

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 3 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
CN-110016021-B Immunomodulator 成都先导药物开发股份有限公司 2021-05-07 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