SCHEMBL26054346

SCHEMBL26054346

O=C(NCC(O)CO)c1cc(NI)cc(C(=O)NCC(O)CO)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA2 P00918 1/20 0.39
LMNA P02545 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
MAPK14 Q16539 2/20 0.38
MAP2K1 Q02750 3/20 0.36
MAP2K2 P36507 1/20 0.36
PRKCZ Q05513 1/20 0.36
IARS2 Q9NSE4 1/20 0.36
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
ACSS2 Q9NR19 2/20 0.35
LOX P28300 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35

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
SCHEMBL3400892 0.85 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDGAAKMT2A
SCHEMBL12856521 0.84 HPGD (0.46) ALDH1A1KDM4EHPGDGAAKMT2A
SCHEMBL22821572 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDGAAKMT2A
SCHEMBL20329603 0.83 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDGAAKMT2A
SCHEMBL22821573 0.83 HPGD (0.48) ALDH1A1KDM4EHPGDGAAKMT2A
SCHEMBL29350287 0.81 PRMT5 (0.45) ALDH1A1KDM4EHPGDGAAKMT2A
SCHEMBL14793018 0.81 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDGAAKMT2A
SCHEMBL25162261 0.80 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDGAAKMT2A
SCHEMBL29161354 0.80 KDM4E (0.43) ALDH1A1KDM4EHPGDGAAKMT2A
SCHEMBL22640849 0.80 KDM4E (0.48) ALDH1A1KDM4EHPGDGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024080872-A1 STRAINED BICYCLONONENES TAGWORKS PHARMACEUTICALS B.V. (NL) 2024-04-18 WO disclosed
WO-2023158305-A1 MASKED IL12 PROTEIN TAGWORKS PHARMACEUTICALS B.V. (NL) 2023-08-24 WO disclosed