SCHEMBL9296155

SCHEMBL9296155

Nc1ccc(C(c2ccc(N)cc2)(c2ccc(I)cc2)C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.45
APP P05067 1/20 0.37
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAOB P27338 2/20 0.34
PTGS1 P23219 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MAPK1 P28482 2/20 0.32
HPGD P15428 1/20 0.32
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 2/20 0.30
GLA P06280 1/20 0.30
POLB P06746 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
SCHEMBL2200527 0.89 KIF11 (0.54) KIF11ALDH1A1TDP1KDM4EMAPT
SCHEMBL1140694 0.80 KIF11 (0.46) KIF11ALDH1A1TDP1KDM4EMAPT
SCHEMBL9295526 0.78 ALDH1A1 (0.56) KIF11ALDH1A1TDP1KDM4EMAPT
SCHEMBL8952160 0.78 ESR1 (0.52) KIF11APPALDH1A1KDM4EMAPT
SCHEMBL17789212 0.78 ACHE (0.56) KIF11ALDH1A1TDP1KDM4EMAPT
SCHEMBL13149657 0.77 MAPT (0.42) KIF11APPALDH1A1TDP1KDM4E
SCHEMBL3091933 0.77 MAPT (0.42) KIF11APPALDH1A1TDP1KDM4E
SCHEMBL25837 0.75
SCHEMBL9296088 0.74 PTPN1 (0.44) KIF11APPALDH1A1TDP1KDM4E
SCHEMBL22694326 0.74 ALDH1A1 (0.50) KIF11APPALDH1A1TDP1MAPT

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
US-5344982-A Adhesives, composites, films, matrices; solvent resistance, modulus, high glass transition temperature THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1994-09-06 US disclosed