SCHEMBL28343306

SCHEMBL28343306

CCCOC(=O)Oc1cc2c(cc1[N+](=O)[O-])OCO2

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 6/20 0.45
ALDH1A1 P00352 6/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
KDM4E B2RXH2 3/20 0.45
THRB P10828 1/20 0.45
MCL1 Q07820 1/20 0.43
RECQL P46063 1/20 0.43
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SRC P12931 1/20 0.40
F2 P00734 1/20 0.40
RCE1 Q9Y256 1/20 0.40
TDP1 Q9NUW8 2/20 0.40

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
SCHEMBL15040512 0.81 POLB (0.47) POLBL3MBTL1GAAMAPTALDH1A1
SCHEMBL1852524 0.80 MEN1 (0.51) POLBL3MBTL1MAPTALDH1A1MEN1
SCHEMBL30402519 0.80 MEN1 (0.51) POLBL3MBTL1MAPTALDH1A1MEN1
SCHEMBL11692921 0.79 ALDH1A1 (0.43) POLBL3MBTL1GAAMAPTALDH1A1
SCHEMBL1527926 0.78 MAPT (0.53) POLBL3MBTL1GAAMAPTALDH1A1
SCHEMBL7341085 0.76 ALDH1A1 (0.44) POLBL3MBTL1GAAMAPTALDH1A1
SCHEMBL6968157 0.76 ALDH1A1 (0.44) POLBL3MBTL1GAAMAPTALDH1A1
SCHEMBL11697163 0.76 MAPT (0.53) POLBL3MBTL1MAPTALDH1A1MEN1
SCHEMBL17055836 0.74 SMN1; SMN2 (0.42) L3MBTL1GAAMAPTALDH1A1MEN1
SCHEMBL6999409 0.74 MAPT (0.47) POLBL3MBTL1GAAMAPTALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114751920-B Antitumor compounds 法马马有限公司 2024-06-07 CN disclosed
CN-114736219-B Antitumor compounds 法马马有限公司 2024-06-07 CN disclosed
CN-118139851-A Antitumor compounds 法马马有限公司 2024-06-04 CN disclosed
CN-114751920-A Antitumor compounds 法马马有限公司 2022-07-15 CN disclosed
CN-114736219-A Antitumor compounds 法马马有限公司 2022-07-12 CN disclosed
CN-113226377-A Antibody drug conjugates comprising an eltrinastine derivative 法马马有限公司 2021-08-06 CN disclosed
CN-110621678-A Antitumor compounds 法马马有限公司 2019-12-27 CN disclosed