SCHEMBL9697619

SCHEMBL9697619

CC(O)Nc1nc(F)nc(F)n1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 2/20 0.32
HTT P42858 2/20 0.32
KCNH3 Q9ULD8 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR7 P34969 1/20 0.32
F2 P00734 1/20 0.30
LMNA P02545 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
SCHEMBL3297569 0.82 GAA (0.46) TDP1GAAMAPK1HTTKCNH3
SCHEMBL9485483 0.80 GAA (0.52) TDP1GAAMAPK1HTTKCNH3
SCHEMBL11168742 0.73 IDH1 (0.45) TDP1GAAKCNH3KMT2AHTR7
SCHEMBL8980528 0.71 TDP1 (0.33) TDP1GAAMAPK1HTTKMT2A
SCHEMBL6723863 0.71 KMT2A (0.36) TDP1GAAMAPK1HTTKMT2A
SCHEMBL9188014 0.71 GAA (0.60) TDP1GAALMNA
Hydrochloric Acid SCHEMBL7860779 0.68 KMT2A (0.34) TDP1GAAMAPK1HTTKMT2A
SCHEMBL8972584 0.67 GAA (0.34) TDP1GAA
Formaldehyde SCHEMBL11222952 0.67 MAPK1 (0.37) TDP1GAAMAPK1HTTKMT2A
SCHEMBL10078277 0.66 GAA (0.52) TDP1GAALMNA

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
US-5116957-A REACTIVE AZO DYESTUFFS HAVING A FLUOROTRIAZINE GROUP AND IMPROVED FIXATION PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 1992-05-26 US disclosed
EP-0013996-A2 Reactive azo compounds, processes for their preparation and their use for dyeing fibers and textiles NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1980-08-06 EP disclosed