SCHEMBL25382425

SCHEMBL25382425

COC(=O)c1cccc(CN(CCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.48
CYP4A11 Q02928 2/20 0.48
HDAC1 Q13547 2/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
CA14 Q9ULX7 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BRD4 O60885 1/20 0.40
CASR P41180 1/20 0.40
FOLH1 Q04609 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
SLC7A5 Q01650 1/20 0.39

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
SCHEMBL30563275 1.00 CYP4F2 (0.48) CYP4F2CYP4A11HDAC1LOXL2CA14
SCHEMBL30563260 0.91 HDAC1 (0.45) HDAC1CA14HDAC3HDAC2NCOR2
SCHEMBL25380568 0.91 HDAC1 (0.45) HDAC1CA14HDAC3HDAC2NCOR2
SCHEMBL5725025 0.84 CYP4F2 (0.60) CYP4F2CYP4A11LOXL2MAPTKDM4E
SCHEMBL31747308 0.84 CYP4F2 (0.60) CYP4F2CYP4A11LOXL2MAPTKDM4E
SCHEMBL31730134 0.82 CYP4F2 (0.61) CYP4F2CYP4A11LOXL2MAPTBRD4
SCHEMBL29347083 0.82 CYP4F2 (0.61) CYP4F2CYP4A11LOXL2MAPTBRD4
SCHEMBL30563213 0.81 CA14 (0.45) CYP4F2CYP4A11HDAC1CA14HDAC3
SCHEMBL25378075 0.81 CA14 (0.45) CYP4F2CYP4A11HDAC1CA14HDAC3
SCHEMBL8630273 0.81 HDAC3 (0.52) HDAC1CA14HDAC3HDAC2NCOR2

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-118843616-A Benzamide compounds for the treatment of bacterial infections 豪夫迈·罗氏有限公司 2024-10-25 CN disclosed
WO-2023166103-A1 BENZAMIDE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS F. HOFFMANN-LA ROCHE AG (CH) 2023-09-07 WO disclosed
WO-2023166103-A1 BENZAMIDE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS F. HOFFMANN-LA ROCHE AG (CH) 2023-09-07 WO disclosed