SCHEMBL29196676

SCHEMBL29196676

COC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.68
ALPL P05186 7/20 0.68
RAB9A P51151 5/20 0.68
POLB P06746 2/20 0.68
NPC1 O15118 4/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
LMNA P02545 2/20 0.67
GAA P10253 2/20 0.66
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PKM P14618 1/20 0.51
MCL1 Q07820 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 1/20 0.50
CA9 Q16790 1/20 0.50
HPGDS O60760 1/20 0.50
HTT P42858 1/20 0.49

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
SCHEMBL874728 0.83 SMN1; SMN2 (0.72) MAPTALPLRAB9APOLBNPC1
SCHEMBL29444429 0.82 SMN1; SMN2 (0.56) MAPTALPLRAB9APOLBNPC1
SCHEMBL29197211 0.81 ACR (0.52) MAPTALPLRAB9APOLBNPC1
SCHEMBL1414008 0.80 MAPT (1.00) MAPTALPLRAB9APOLBNPC1
SCHEMBL2631731 0.80 MAPT (1.00) MAPTALPLRAB9APOLBNPC1
SCHEMBL2524441 0.80 ALPL (0.76) MAPTALPLRAB9APOLBNPC1
SCHEMBL855912 0.80 ALPL (0.76) MAPTALPLRAB9APOLBNPC1
SCHEMBL646099 0.80 GAA (1.00) MAPTALPLRAB9APOLBNPC1
SCHEMBL4788746 0.79 GAA (0.75) MAPTALPLRAB9APOLBNPC1
Hydrochloric Acid SCHEMBL1314014 0.79 GAA (0.97) MAPTALPLRAB9APOLBNPC1

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-117886821-A Nitrogen-containing condensed ring derivative inhibitor, preparation method and application thereof 江苏豪森药业集团有限公司 2024-04-16 CN disclosed
CN-113754587-B Phenylpyrazole compound and application thereof 沈阳药科大学 2023-07-14 CN disclosed
CN-113754587-A Phenylpyrazole compound and application thereof 沈阳药科大学 2021-12-07 CN disclosed