SCHEMBL26129697

SCHEMBL26129697

O=C(O)N1CC(COc2ncc(Br)cc2[N+](=O)[O-])C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.33
MAPK1 P28482 2/20 0.31
GAA P10253 2/20 0.31
KDM4E B2RXH2 2/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
THRB P10828 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ABL1 P00519 1/20 0.31
BCR P11274 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
LMNA P02545 3/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
CNR2 P34972 1/20 0.31
ALDH1A1 P00352 4/20 0.30
SMN1; SMN2 Q16637 3/20 0.30
L3MBTL1 Q9Y468 2/20 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
SCHEMBL4277889 0.89 GAA (0.39) MAPK1GAATHRBMEN1KMT2A
SCHEMBL26590176 0.85 IDO1 (0.39) LMNAALDH1A1MAPT
SCHEMBL29968865 0.85 IDO1 (0.39) LMNAALDH1A1MAPT
SCHEMBL26130336 0.81 HSD17B10 (0.34) RBP4GAAKDM4ECNR2
SCHEMBL29969907 0.77 CHRNB4 (0.40)
SCHEMBL26131669 0.77 CHRNB4 (0.40)
SCHEMBL14285782 0.77 FNTA (0.43)
SCHEMBL26130599 0.76 KDM4E (0.42) MAPK1KDM4ERAB9AMEN1KMT2A
SCHEMBL2686001 0.76 MEN1 (0.43) MAPK1PKMRAB9AMEN1KMT2A
SCHEMBL2685997 0.76 MEN1 (0.43) MAPK1PKMRAB9AMEN1KMT2A

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
EP-4327877-A2 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRad Therapeutics, Inc. (US) 2024-02-28 EP disclosed
EP-3784671-B1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS INC (US) 2023-10-11 EP disclosed