SCHEMBL5513312

SCHEMBL5513312

CNc1ccc(F)c(NC)c1F

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.32
APP P05067 2/20 0.30
IDO1 P14902 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)
SCHEMBL5513296 0.81 MAP2K1 (0.33) APPIDO1
SCHEMBL7995306 0.80 ALDH1A1 (0.41)
SCHEMBL19233517 0.80 CYP3A4 (0.33) BRAF
SCHEMBL5511699 0.79 TSHR (0.38)
SCHEMBL5513043 0.79 IDO1 (0.37) IDO1
SCHEMBL15249608 0.78 HDAC1 (0.41) BRAF
SCHEMBL27275055 0.78 BRAF (0.41) BRAF
SCHEMBL20076714 0.76 PKM (0.31) IDO1
SCHEMBL30720089 0.76 PKM (0.31) IDO1

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