SCHEMBL13906097

SCHEMBL13906097

CCCC1CCNC[C@H]1O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
GBA1 P04062 6/20 0.38
KCNH2 Q12809 1/20 0.36
MAN1B1 Q9UKM7 1/20 0.35
PYGL P06737 1/20 0.33
GBA2 Q9HCG7 1/20 0.33
GAA P10253 1/20 0.33
GLB1 P16278 1/20 0.33
FUCA1 P04066 1/20 0.32

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
SCHEMBL12561505 1.00 CA1 (0.52) CA1CA2CA4GBA1KCNH2
SCHEMBL28316228 1.00 CA1 (0.52) CA1CA2CA4GBA1KCNH2
SCHEMBL12561509 0.88 GLB1 (0.40) CA1CA2CA4GBA1KCNH2
SCHEMBL12561507 0.88 GLB1 (0.40) CA1CA2CA4GBA1KCNH2
SCHEMBL24477566 0.83 CA1 (0.52) CA1CA2CA4GBA1KCNH2
SCHEMBL7225817 0.83 CA1 (0.52) CA1CA2CA4GBA1KCNH2
SCHEMBL26734150 0.83
SCHEMBL26734347 0.83
SCHEMBL12536900 0.83
SCHEMBL9901175 0.83

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
WO-2009033084-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-03-12 WO disclosed