SCHEMBL9869867

SCHEMBL9869867

O=C(Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.55
MAPT P10636 5/20 0.54
HTT P42858 5/20 0.54
LMNA P02545 3/20 0.54
MAPK1 P28482 1/20 0.54
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
GAA P10253 2/20 0.53
PDK1 Q15118 2/20 0.51
PDK2 Q15119 2/20 0.51
PDK3 Q15120 2/20 0.51
PDK4 Q16654 2/20 0.51
POLB P06746 1/20 0.51
TP53 P04637 1/20 0.50
RORC P51449 1/20 0.50
PKM P14618 2/20 0.46
THRB P10828 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TRPV1 Q8NER1 1/20 0.43
P2RX1 P51575 1/20 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
SCHEMBL7073743 0.89 ALDH1A1 (0.58) ALDH1A1MAPTHTTLMNAMAPK1
SCHEMBL11009493 0.85 ALDH1A1 (0.60) ALDH1A1MAPTHTTLMNAMAPK1
SCHEMBL9870968 0.84 PDK1 (0.52) ALDH1A1MAPTHTTLMNAMAPK1
SCHEMBL4959353 0.84 ALDH1A1 (0.60) ALDH1A1MAPTHTTLMNAMAPK1
SCHEMBL4959345 0.84 ALDH1A1 (0.60) ALDH1A1MAPTHTTLMNAMAPK1
SCHEMBL9869441 0.83 PDK1 (0.51) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL9870149 0.83 GAA (0.54) ALDH1A1MAPTHTTLMNAMEN1
SCHEMBL10420241 0.83 MAPT (0.57) ALDH1A1MAPTHTTLMNAMAPK1
SCHEMBL10420192 0.83 PDK1 (0.61) ALDH1A1MAPTHTTLMNAMAPK1
SCHEMBL9834299 0.83 ALDH1A1 (0.58) ALDH1A1MAPTHTTLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4992471-A Fluorinated carboxanilide LILLY INDUSTRIES LIMITED (GB) 1991-02-12 US claimed
US-4962284-A HERBICIDES, FUNGICIDES ELI LILLY AND COMPANY (US) 1990-10-09 US claimed
US-4826841-A INSECTICIDES, MITICIDES ELI LILLY AND COMPANY (US) 1989-05-02 US claimed
EP-0238351-A2 Molluscicides LILLY INDUSTRIES LIMITED (GB) 1987-09-23 EP claimed
US-5008267-A Pyrimidinedione compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-04-16 US disclosed
US-4992471-A Fluorinated carboxanilide LILLY INDUSTRIES LIMITED (GB) 1991-02-12 US disclosed
US-4962284-A HERBICIDES, FUNGICIDES ELI LILLY AND COMPANY (US) 1990-10-09 US disclosed
US-4826841-A INSECTICIDES, MITICIDES ELI LILLY AND COMPANY (US) 1989-05-02 US disclosed
EP-0238351-A2 Molluscicides LILLY INDUSTRIES LIMITED (GB) 1987-09-23 EP disclosed
EP-0197756-A2 Alkanoyl anilides ELI LILLY AND COMPANY (US) 1986-10-15 EP disclosed
EP-0197451-A2 Energy submetering system HONEYWELL INC. (US) 1986-10-15 EP disclosed