SCHEMBL25374366

SCHEMBL25374366

CC(C)(O)CNc1ccc(I)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 3/20 0.36
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
EGLN2 Q96KS0 1/20 0.31
IL1B P01584 1/20 0.31
AR P10275 2/20 0.31
NAMPT P43490 1/20 0.30
FPR2 P25090 1/20 0.30
SCN9A Q15858 1/20 0.30
MAPK14 Q16539 1/20 0.30

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
SCHEMBL31609623 1.00 IDH2 (0.36) IDH2MEN1ALDH1A1MAPTKMT2A
SCHEMBL31368961 0.80 MAPT (0.47) MEN1ALDH1A1MAPTKMT2AIL1B
SCHEMBL8613449 0.74 KMT2A (0.42) IDH2MEN1ALDH1A1MAPTKMT2A
SCHEMBL17974825 0.70 KCNH2 (0.36) ALDH1A1MAPTAR
SCHEMBL13246894 0.69 AR (0.43) MEN1ALDH1A1MAPTKMT2AAR
SCHEMBL31609645 0.69 IDH2 (0.36) IDH2
SCHEMBL25433031 0.69 IDH2 (0.36) IDH2
SCHEMBL25433032 0.69 IDH2 (0.36) IDH2
SCHEMBL10126871 0.69 MAPT (0.54) MEN1ALDH1A1MAPTKMT2A
SCHEMBL7057962 0.67 HDAC1 (0.52) MEN1ALDH1A1MAPTKMT2A

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
EP-4482583-A1 ZWITTERIONIC ANTIBACTERIAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2025-01-01 EP disclosed
WO-2023161316-A1 ZWITTERIONIC ANTIBACTERIAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-31 WO disclosed
WO-2023161316-A1 ZWITTERIONIC ANTIBACTERIAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-31 WO disclosed