SCHEMBL5513296

SCHEMBL5513296

CNc1ccc(F)c(F)c1NC

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 3/20 0.33
MAP2K2 P36507 2/20 0.33
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.31
APP P05067 3/20 0.30
IDO1 P14902 1/20 0.30
EPHX2 P34913 1/20 0.30
PIM1 P11309 1/20 0.30
CAMK2B Q13554 1/20 0.30
LMNA P02545 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
SCHEMBL6137822 0.82 CES2 (0.32)
SCHEMBL5513312 0.81 BRAF (0.32) APPIDO1
SCHEMBL7995306 0.80 ALDH1A1 (0.41) ALDH1A1KMT2AEPHX2LMNA
SCHEMBL15177367 0.76 RAPGEF4 (0.34)
SCHEMBL23894364 0.74 ALDH1A1 (0.31) ALDH1A1KMT2A
SCHEMBL5512551 0.74 CA3 (0.34) IDO1
SCHEMBL30587393 0.74 ALDH1A1 (0.34) ALDH1A1
SCHEMBL17111329 0.74 HTR2A (0.38) MAP2K1ALDH1A1KMT2ALMNA
SCHEMBL932455 0.74 PRKCI (0.33) ALDH1A1KMT2A
SCHEMBL29860588 0.74 PRKCI (0.33) ALDH1A1KMT2A

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