SCHEMBL21158078

SCHEMBL21158078

NC(=O)c1cc(OCC2COC2)c(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
POLB P06746 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 6/20 0.41
IRAK4 Q9NWZ3 1/20 0.38
CTPS1 P17812 1/20 0.37
PARP1 P09874 1/20 0.37
HTT P42858 2/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PRSS1 P07477 2/20 0.36

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 1.00 LMNA (0.41) LMNAPOLBSMN1; SMN2MAPTIRAK4
SCHEMBL28308732 0.89 PARP15 (0.46) LMNAPOLBSMN1; SMN2MAPTCTPS1
SCHEMBL30803074 0.89 PARP15 (0.46) LMNAPOLBSMN1; SMN2MAPTCTPS1
SCHEMBL21156963 0.88 LMNA (0.40) LMNAPOLBSMN1; SMN2MAPTCTPS1
SCHEMBL28561966 0.82 KMT2A (0.47) LMNAPOLBSMN1; SMN2MAPTCTPS1
SCHEMBL21157492 0.81 POLB (0.41) LMNAPOLBSMN1; SMN2MAPTCTPS1
SCHEMBL29898969 0.81 POLB (0.41) LMNAPOLBSMN1; SMN2MAPTCTPS1
SCHEMBL28548656 0.81 MAPT (0.42) LMNAPOLBSMN1; SMN2MAPTIRAK4
SCHEMBL19451492 0.79 PRSS1 (0.51) LMNAPOLBSMN1; SMN2MAPTPARP1
SCHEMBL22121012 0.77 PRSS1 (0.46) LMNAPOLBSMN1; SMN2MAPTPARP1

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-117658992-A Benzimidazole compound, preparation method and pharmaceutical application thereof 中国医学科学院药物研究所 2024-03-08 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