SCHEMBL8097726

SCHEMBL8097726

Nc1c(C(F)(F)F)cc([N+](=O)[O-])cc1S(=O)(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 2/20 0.45
HTT P42858 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GALR3 O60755 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
PDE7A Q13946 1/20 0.41
POLB P06746 2/20 0.40
ALDH1A1 P00352 7/20 0.39
GPR35 Q9HC97 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
CYP3A4 P08684 1/20 0.36
LMNA P02545 1/20 0.36
NSD2 O96028 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL11677753 0.82 ALDH1A1 (0.50) HTTL3MBTL1MEN1KMT2AGALR3
SCHEMBL19071925 0.78 ALDH1A1 (0.48) NT5EHTTL3MBTL1MEN1KMT2A
SCHEMBL10400731 0.78 ALDH1A1 (0.67) NT5EHTTL3MBTL1MEN1KMT2A
SCHEMBL9355259 0.78 NT5E (0.60) NT5EHTTL3MBTL1MEN1KMT2A
SCHEMBL6935992 0.78 ALDH1A1 (0.56) NT5EHTTL3MBTL1MEN1KMT2A
SCHEMBL11649757 0.77 ALDH1A1 (0.50) HTTL3MBTL1MEN1KMT2AGALR3
SCHEMBL12562331 0.77 ALDH1A1 (0.47) NT5EHTTKMT2ASMN1; SMN2POLB
SCHEMBL8589797 0.76 XDH (0.55) NT5EHTTL3MBTL1MEN1KMT2A
SCHEMBL11245457 0.76 NT5E (0.48) NT5EHTTL3MBTL1MEN1KMT2A
SCHEMBL2436697 0.76 ALDH1A1 (0.62) HTTL3MBTL1MEN1KMT2AGALR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767219-B1 Pigmented plastics compositions CIBA SC HOLDING AG (CH) 2000-12-27 EP disclosed