Formic Acid

Formic Acid

SCHEMBL14732153

C[C@]1(c2cc(N)ccc2F)N=C(N)OCC1(F)F.O=CO

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.56
BACE2 Q9Y5Z0 19/20 0.56
PSEN1 P49768 1/20 0.52
PSEN2 P49810 1/20 0.52
APH1B Q8WW43 1/20 0.52
NCSTN Q92542 1/20 0.52
APH1A Q96BI3 1/20 0.52
PSENEN Q9NZ42 1/20 0.52

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
SCHEMBL1977346 0.93 BACE1 (0.56) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL1977348 0.93 BACE1 (0.56) BACE1BACE2PSEN1PSEN2APH1B
Hydrochloric Acid SCHEMBL13268453 0.91 BACE1 (0.55) BACE1BACE2PSEN1PSEN2APH1B
Formic Acid SCHEMBL14732151 0.86 BACE1 (0.55) BACE1BACE2PSEN1PSEN2APH1B
Formic Acid SCHEMBL14759734 0.84 BACE1 (0.57) BACE1BACE2
SCHEMBL15676848 0.83 BACE1 (0.52) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL12980225 0.82 BACE1 (0.59) BACE1BACE2
SCHEMBL14732152 0.81 BACE1 (0.62) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL16900333 0.81 BACE1 (0.45) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL13268447 0.81 BACE1 (0.58) BACE1BACE2PSEN1PSEN2APH1B

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-8389513-B2 2-amino-5,5-difluoro-5,6-dihydro-4H-[1,3]oxazin-4-yl)-phenyl]-amides HOFFMANN-LA ROCHE INC. (US) 2013-03-05 US disclosed