SCHEMBL28825391

SCHEMBL28825391

CC(C)(C)C(=O)Oc1n[nH]cc1Br

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 14/20 0.40
▸ CA2 P00918 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ PARP2 Q9UGN5 1/20 0.31
▸ HTR1D P28221 1/20 0.30
▸ HTR1B P28222 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
SCHEMBL27621412 0.81 ELANE (0.40) ELANEMAPT
SCHEMBL27808009 0.80 ELANE (0.39) ELANECA2MAPT
SCHEMBL27805740 0.80 ELANE (0.39) ELANEMAPT
SCHEMBL27621546 0.80 ELANE (0.37) ELANEHTR1DHTR1B
SCHEMBL27791447 0.78 SLC22A12 (0.36) ELANEMAPT
SCHEMBL27594623 0.77 ELANE (0.35) ELANEHTR1DHTR1B
SCHEMBL28046986 0.76 ELANE (0.37) ELANEHTR1DHTR1B
SCHEMBL27805639 0.76 ELANE (0.36) ELANE
SCHEMBL27786236 0.76 MAPT (0.43) ELANEMAPT
SCHEMBL28127386 0.75 ELANE (0.36) ELANEHTR1DHTR1B

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
CN-105164121-A Perfluorinated cyclopropyl-fused 1, 3-oxazin-2-amine compounds as beta-secretase inhibitors and methods of use thereof AMGEN INC 2015-12-16 — — CN disclosed
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