SCHEMBL1980916

SCHEMBL1980916

CC1(C)N=C(N)O[C@](C)(c2cc(NC(=O)c3ccc(OCF)cn3)ccc2F)C1(F)F

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.67
BACE2 Q9Y5Z0 15/20 0.67

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
SCHEMBL1979498 0.91 BACE1 (0.69) BACE1BACE2
SCHEMBL1981852 0.91 BACE1 (0.69) BACE1BACE2
SCHEMBL1984741 0.89 BACE1 (0.68) BACE1BACE2
SCHEMBL1979758 0.88 BACE1 (0.71) BACE1BACE2
SCHEMBL1981784 0.87 BACE1 (0.69) BACE1BACE2
Hydrochloric Acid SCHEMBL1980443 0.87 BACE1 (0.70) BACE1BACE2
SCHEMBL1973984 0.87 BACE1 (0.65) BACE1BACE2
SCHEMBL1972100 0.87 BACE1 (0.65) BACE1BACE2
SCHEMBL1978880 0.84 BACE1 (0.62) BACE1BACE2
SCHEMBL1979047 0.84 BACE1 (0.67) BACE1BACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110143023-A1 GAS SENSOR USING POROUS NANO-FIBER CONTAINING METAL OXIDE AND MANUFATURING METHOD THEREOF CHUNGNAM NATIONAL UNIVERSITY INDUSTRY COLLABORATION FOUNDATION (KR) 2011-06-16 US disclosed