SCHEMBL798976

SCHEMBL798976

COC(=O)c1cnc(N2CCC(c3cc(S(=O)(=O)C(F)(F)F)cc(S(=O)(=O)C(F)(F)F)c3)(C(F)(F)F)C2)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCAT P04180 1/20 0.38
MAPT P10636 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SMO Q99835 1/20 0.34
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
DDB1 Q16531 2/20 0.32
CRBN Q96SW2 2/20 0.32
GAA P10253 2/20 0.32
NR1H2 P55055 2/20 0.31
NR1H3 Q13133 2/20 0.31
KIF18A Q8NI77 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
EPAS1 Q99814 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
SCHEMBL794399 0.86 LCAT (0.40) LCATMAPTKDM4ESMOLMNA
SCHEMBL10279151 0.74 MAPT (0.40) LCATMAPTKDM4ESMOLMNA
SCHEMBL2891320 0.73 AR (0.50) LCATMAPTKDM4EALDH1A1SMO
SCHEMBL23753973 0.68 MAPT (0.45) LCATMAPTRBP4
SCHEMBL795219 0.68 KDM4E (0.34) MAPTKDM4EALDH1A1NR1H2NR1H3
SCHEMBL794953 0.67 ALDH1A1 (0.35) MAPTKDM4EALDH1A1
SCHEMBL798214 0.67 EPHX2 (0.35)
SCHEMBL14127309 0.66 ITGAL (0.42) KDM4ESMOLMNARBP4
SCHEMBL15466757 0.66 P2RX7 (0.34) MAPTALDH1A1
SCHEMBL15466655 0.66 EPHX2 (0.34)

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-2616437-A1 PESTICIDAL ARYLPYRROLIDINES Bayer Intellectual Property GmbH (DE) 2013-07-24 EP disclosed
WO-2012035011-A1 PESTICIDAL ARYLPYRROLIDINES BAYER CROPSCIENCE AG (DE) 2012-03-22 WO disclosed