SCHEMBL19554174

SCHEMBL19554174

COC(=O)c1cc(OC(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.57
SIRT6 Q8N6T7 1/20 0.51
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.44
MAPK1 P28482 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
ALDH3A1 P30838 1/20 0.44
TSHR P16473 1/20 0.43
ALDH1A1 P00352 2/20 0.42
PDGFRB P09619 1/20 0.42
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT1 P17948 1/20 0.42
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42
AKR1C4 P17516 2/20 0.41
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41

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
SCHEMBL3720798 0.87 TDP1 (0.58) TDP1SIRT6MAPTLMNAMEN1
SCHEMBL268657 0.86 TDP1 (0.57) TDP1SIRT6MAPTLMNAMAPK1
SCHEMBL10784720 0.85 TDP1 (0.70) TDP1SIRT6MAPTMEN1MAPK1
SCHEMBL268414 0.85 TDP1 (0.62) TDP1SIRT6MAPTLMNAMEN1
SCHEMBL100516 0.84 TDP1 (0.53) TDP1SIRT6MAPTLMNAALDH1A1
SCHEMBL30032710 0.84 DTYMK (0.54) TDP1MAPTLMNAMEN1MAPK1
SCHEMBL8878937 0.82 TDP1 (0.60) TDP1SIRT6MAPTMAPK1ALDH1A1
SCHEMBL2424186 0.81 TDP1 (0.61) TDP1SIRT6MAPTLMNAMEN1
SCHEMBL18260661 0.80 TDP1 (0.57) TDP1SIRT6MAPTLMNAMEN1
SCHEMBL11308233 0.80 TDP1 (0.55) TDP1SIRT6MAPTLMNAMEN1

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-4731216-A1 HETEROARYL-AMINE COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS Augustine Therapeutics (BE) 2026-04-29 EP disclosed
WO-2024261329-A1 HETEROARYL-AMINE COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS AUGUSTINE THERAPEUTICS (BE) 2024-12-26 WO disclosed
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed