SCHEMBL5513340

SCHEMBL5513340

CNc1c(F)ccc(N)c1F

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
BACE1 P56817 1/20 0.33

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
SCHEMBL5510292 0.82 ALDH1A1 (0.34) ALDH1A1BACE1
SCHEMBL30587393 0.82 ALDH1A1 (0.34) ALDH1A1BACE1
SCHEMBL6137822 0.80 CES2 (0.32)
SCHEMBL5511699 0.77 TSHR (0.38)
SCHEMBL5514278 0.76 KDM4E (0.32) ALDH1A1
SCHEMBL5508271 0.75 CRHBP (0.31) ALDH1A1
SCHEMBL25706571 0.74 RAPGEF4 (0.34)
SCHEMBL5513312 0.74 BRAF (0.32)
SCHEMBL11901399 0.74 ALDH1A1 (0.32) ALDH1A1BACE1
SCHEMBL29711949 0.74 ALDH1A1 (0.32) ALDH1A1BACE1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103097359-B Compounds as microsomal prostaglandin E2 synthase-1 inhibitors 贝林格尔.英格海姆国际有限公司 2016-08-17 CN disclosed
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