SCHEMBL1979146

SCHEMBL1979146

Oc1ccc(-c2[c]cc(C(F)(F)F)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.59
ESR1 P03372 3/20 0.41
ESR2 Q92731 3/20 0.41
MAPK1 P28482 1/20 0.40
MAP2K4 P45985 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
MAPKAPK3 Q16644 1/20 0.40
MAPK6 Q16659 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
GFER P55789 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RCE1 Q9Y256 1/20 0.40

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
SCHEMBL28244471 0.83 KIF11 (0.38) KIF11KDM4ENPC1NFKB1RAB9A
SCHEMBL28540008 0.81 TRPV1 (0.41) KIF11MAPK1KDM4EALDH1A1
SCHEMBL28436016 0.81 KIF11 (0.54) KIF11NPC1ALDH1A1RAB9ADGAT1
SCHEMBL28241016 0.80 ESR1 (0.50) KIF11ESR1ESR2ALDH1A1HPGD
SCHEMBL27699321 0.77 PTPN5 (0.44) KIF11
SCHEMBL12675678 0.75 KIF11 (1.00) KIF11ESR1ESR2MAPK1MAP2K4
SCHEMBL678508 0.75 KIF11 (1.00) KIF11ESR1ESR2MAPK1MAP2K4
SCHEMBL29275313 0.73 KIF11 (0.64) KIF11ALDH1A1DGAT1KCNH2
SCHEMBL57109 0.72 KIF11 (0.84) KIF11ESR1ESR2KDM4ENPC1
SCHEMBL21268187 0.71 KIF11 (0.43) KIF11ESR1ESR2KDM4ENPC1

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
EP-2509978-A1 AZOCYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE E.I. Du Pont De Nemours And Company (US) 2012-10-17 EP disclosed
WO-2011072207-A1 AZOCYCLIC INHIBITORS OF FATTY ACID AMIDE HYDROLASE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-06-16 WO disclosed