SCHEMBL3935804

SCHEMBL3935804

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

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.59
HPGD P15428 1/20 0.54
MAPT P10636 1/20 0.53
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPK1 P28482 1/20 0.46
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
AGBL2 Q5U5Z8 1/20 0.45

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
SCHEMBL3924887 0.89 AGBL2 (0.55) L3MBTL1HPGDMAPTALDH1A1KDM4E
SCHEMBL3930089 0.86 L3MBTL1 (0.48) L3MBTL1HPGDMAPTALDH1A1KDM4E
SCHEMBL3925047 0.85 L3MBTL1 (0.47) L3MBTL1HPGDMAPTALDH1A1KDM4E
SCHEMBL4376390 0.85 L3MBTL1 (0.64) L3MBTL1HPGDALDH1A1KDM4EMEN1
SCHEMBL3929580 0.84 L3MBTL1 (0.46) L3MBTL1HPGDMAPTALDH1A1KDM4E
SCHEMBL3932258 0.82 MAPT (0.56) L3MBTL1HPGDMAPTALDH1A1KDM4E
SCHEMBL3929230 0.81 L3MBTL1 (0.44) L3MBTL1HPGDMAPTALDH1A1KDM4E
SCHEMBL3926909 0.81 MAPK1 (0.44) L3MBTL1HPGDMAPTALDH1A1KMT2A
SCHEMBL3926414 0.79 TDP1 (0.52) L3MBTL1HPGDMAPTALDH1A1MEN1
SCHEMBL1855724 0.78 MAPT (0.60) L3MBTL1MAPTALDH1A1MEN1KMT2A

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