SCHEMBL5510016

SCHEMBL5510016

Nc1ccc2cc(N)c(F)c(F)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
F2 P00734 1/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
MAOA P21397 1/20 0.41
DRD1 P21728 1/20 0.41
ACHE P22303 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41
KDR P35968 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 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
SCHEMBL5514423 0.79 ESR1 (0.46) CYP3A4
SCHEMBL5513073 0.75 EGFR (0.34) EGFR
SCHEMBL5513548 0.74 PLAU (0.44) MEN1KMT2ALMNAHTTF2
SCHEMBL21499706 0.73 HPRT1 (0.43) MEN1KMT2ALMNAHTTF2
SCHEMBL5514092 0.71 ALDH1A1 (0.44) MEN1KMT2ALMNAHTTF2
SCHEMBL12774936 0.70 CTDSP1 (0.58) MEN1KMT2ALMNAHTTF2
SCHEMBL29402125 0.70 CTDSP1 (0.58) MEN1KMT2ALMNAHTTF2
SCHEMBL31722811 0.70 ALDH1A1 (0.48) MEN1KMT2ALMNAHTTF2
SCHEMBL7752886 0.70 ALDH1A1 (0.48) MEN1KMT2ALMNAHTTF2
SCHEMBL7923189 0.70 PLAU (0.44) MEN1KMT2ALMNAHTTF2

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
US-7208559-B2 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2007-04-24 US disclosed
US-20060135712-A1 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2006-06-22 US disclosed