SCHEMBL31399720

SCHEMBL31399720

O=c1occc2c([N+](=O)[O-])cc(F)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.40
ATM Q13315 1/20 0.40
TYMS P04818 1/20 0.37
VCAM1 P19320 1/20 0.37
PAX8 Q06710 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HIF1A Q16665 1/20 0.35
HPRT1 P00492 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
CTSB P07858 2/20 0.34
HSPB1 P04792 1/20 0.34
PDE7A Q13946 1/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33
IDO1 P14902 2/20 0.33
TDO2 P48775 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL15814452 0.81 S100A4 (0.44) TDP1PAX8ALDH1A1HPRT1SIRT2
SCHEMBL305604 0.75 TDP1 (0.64) TDP1ATMALDH1A1CTSBKDM4E
SCHEMBL6445623 0.71 ATM (0.43) TDP1ATMTYMSVCAM1ALDH1A1
SCHEMBL31399705 0.71 ALDH1A1 (0.59) TDP1ATMTYMSVCAM1ALDH1A1
SCHEMBL31399742 0.70 ALDH1A1 (0.43) TDP1ATMVCAM1ALDH1A1HIF1A
SCHEMBL27573661 0.67 TDP1 (0.68) TDP1ATMVCAM1ALDH1A1HPRT1
SCHEMBL12066584 0.66 TDP1 (0.52) TDP1ATMTYMSVCAM1ALDH1A1
SCHEMBL14720481 0.66 TDP1 (0.40) TDP1ATMTYMSVCAM1ALDH1A1
SCHEMBL13819398 0.65 KDM4E (0.44) ALDH1A1HIF1AKDM4EMAPTLMNA
SCHEMBL18496993 0.65 SIRT2 (0.41) TDP1ATMTYMSVCAM1ALDH1A1

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-4739672-A1 NEW COMPOUNDS Aston University (GB) 2026-05-13 EP disclosed
WO-2025008626-A1 NEW COMPOUNDS ASTON UNIVERSITY (GB) 2025-01-09 WO disclosed