SCHEMBL3976412

SCHEMBL3976412

CCC(C)C(N)CNc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
HSP90AA1 P07900 1/20 0.34
CYP3A4 P08684 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL13884951 1.00 CA1 (0.38) CA1CA2CA12CA9MAOA
SCHEMBL3975534 0.84 SLC6A3 (0.40) CA1CA2CA12CA9MEN1
SCHEMBL13885334 0.84 SLC6A3 (0.40) CA1CA2CA12CA9MEN1
SCHEMBL3976888 0.83 L3MBTL1 (0.42) CA1CA2CA12CA9MEN1
SCHEMBL13884904 0.83 L3MBTL1 (0.42) CA1CA2CA12CA9MEN1
SCHEMBL4090035 0.82 MAPT (0.42) MAOAMAPTALDH1A1SMN1; SMN2TDP1
SCHEMBL13884895 0.82 MAPT (0.42) MAOAMAPTALDH1A1SMN1; SMN2TDP1
SCHEMBL13884998 0.81 FDPS (0.45) TP53CYP3A4TSHRSMN1; SMN2CDK8
SCHEMBL13884897 0.80 GAA (0.42) CA1CA2MAPTGPR88
SCHEMBL15145999 0.80 MAPT (0.50) CA1CA2CA12CA9MAOA

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-2009053277-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2009-04-30 WO disclosed