SCHEMBL8734657

SCHEMBL8734657

O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1NC(=O)C(F)(F)C(F)F)C(F)(F)C(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 3/20 0.38
PDK2 Q15119 3/20 0.38
PDK3 Q15120 3/20 0.38
PDK4 Q16654 3/20 0.38
APP P05067 1/20 0.36
AR P10275 3/20 0.35
KCNMA1 Q12791 2/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 3/20 0.34
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 2/20 0.34
TSHR P16473 2/20 0.34
HPGD P15428 1/20 0.34
HIF1A Q16665 1/20 0.34
TXNRD1 Q16881 1/20 0.34
TXNRD3 Q86VQ6 1/20 0.34
TXNRD2 Q9NNW7 1/20 0.34

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
SCHEMBL8734794 0.87 PDK1 (0.40) PDK1PDK2PDK3PDK4APP
SCHEMBL8736070 0.86 PDK1 (0.37) PDK1PDK2PDK3PDK4APP
SCHEMBL8736065 0.85 MAPK1 (0.44) KCNMA1MEN1KMT2ACYP3A4ALDH1A1
SCHEMBL11364481 0.79 MAPK1 (0.48) KCNMA1MEN1KMT2ACYP3A4ALDH1A1
SCHEMBL11629263 0.76 AHR (0.40) APPMEN1NPC1RAB9AKMT2A
SCHEMBL8736796 0.72 ALDH1A1 (0.40) PDK1PDK2PDK3PDK4APP
SCHEMBL16198090 0.71 KCNMA1 (0.38) APPKCNMA1MEN1KMT2ACYP3A4
Nifluridide SCHEMBL118413 0.71 ALDH1A1 (0.52) ARKCNMA1MEN1KMT2ACYP3A4
Nifluridide SCHEMBL28173541 0.71 ALDH1A1 (0.52) ARKCNMA1MEN1KMT2ACYP3A4
SCHEMBL11630823 0.71 PDK1 (0.34) PDK1PDK2PDK3PDK4AR

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-0821953-A2 Anticoccidial methods and feedstuffs ELI LILLY AND COMPANY (US) 1998-02-04 EP disclosed