SCHEMBL3932258

SCHEMBL3932258

O=C(O)CCCc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.56
GAA P10253 2/20 0.54
ALDH1A1 P00352 2/20 0.54
KMT2A Q03164 3/20 0.53
GLA P06280 2/20 0.52
AGBL2 Q5U5Z8 1/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HPGD P15428 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46

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
Azelaic Acid SCHEMBL27562613 0.92 MAPT (0.57) MAPTGAAALDH1A1KMT2AGLA
SCHEMBL5717719 0.91 MAPT (0.58) MAPTGAAALDH1A1KMT2AGLA
SCHEMBL27562611 0.85 GAA (0.54) MAPTGAAALDH1A1KMT2AGLA
SCHEMBL3936887 0.84 AGBL2 (0.52) MAPTGAAALDH1A1KMT2AGLA
SCHEMBL3928210 0.84 AGBL2 (0.68) MAPTGAAALDH1A1KMT2AGLA
SCHEMBL27716277 0.82 AGBL2 (0.69) MAPTALDH1A1KMT2AGLAAGBL2
SCHEMBL3935804 0.82 L3MBTL1 (0.59) MAPTGAAALDH1A1KMT2AAGBL2
SCHEMBL3926612 0.81 MAPT (0.60) MAPTALDH1A1KMT2AGLAAGBL2
SCHEMBL1855724 0.81 MAPT (0.60) MAPTALDH1A1KMT2AGLAAGBL2
SCHEMBL5204893 0.81 MAPT (0.57) MAPTGAAALDH1A1KMT2AGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009007418-A1 NOVEL BRONCHODILATING ISOQUINOLINE AMIDES RESPIRATORIUS AB (SE) 2009-01-15 WO disclosed
WO-2009007418-A1 NOVEL BRONCHODILATING ISOQUINOLINE AMIDES RESPIRATORIUS AB (SE) 2009-01-15 WO disclosed