SCHEMBL28849752

SCHEMBL28849752

CNc1ccc(C=Cc2cnc(OCCOCCF)nc2)cn1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
APP P05067 18/20 0.58
MAPT P10636 1/20 0.58
SNCA P37840 1/20 0.58
KCNH2 Q12809 1/20 0.44
NCF1 P14598 1/20 0.39

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
SCHEMBL28849750 1.00 APP (0.58) APPMAPTSNCAKCNH2NCF1
SCHEMBL28849751 0.85 APP (0.74) APPMAPTSNCA
SCHEMBL28849749 0.85 APP (0.74) APPMAPTSNCA
SCHEMBL28953853 0.83 APP (0.53) APPMAPTSNCA
SCHEMBL28953852 0.83 APP (0.53) APPMAPTSNCA
SCHEMBL28849759 0.80 APP (0.59) APPMAPTSNCA
SCHEMBL29962362 0.80 APP (0.50) APPMAPTSNCA
SCHEMBL28849758 0.80 APP (0.59) APPMAPTSNCA
SCHEMBL29962830 0.77 APP (0.47) APPMAPTSNCA
SCHEMBL28953854 0.75 APP (0.47) APPMAPTSNCA

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
CN-113444036-B Diarylethylene derivative and preparation method and application thereof 首都医科大学脑重大疾病研究中心(北京脑重大疾病研究院) 2022-10-04 CN disclosed
CN-113444036-A Diarylethylene derivative and preparation method and application thereof 首都医科大学脑重大疾病研究中心(北京脑重大疾病研究院) 2021-09-28 CN disclosed