SCHEMBL3935783

SCHEMBL3935783

CCOC(=O)CCCc1cc(C)nc(C(F)(F)F)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
BRCA1 P38398 1/20 0.43
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
MAPK1 P28482 4/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 4/20 0.39
TP53 P04637 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TLR9 Q9NR96 2/20 0.39
S1PR4 O95977 1/20 0.39
LMNA P02545 1/20 0.39
S1PR1 P21453 1/20 0.39
STAT3 P40763 1/20 0.39
STAT1 P42224 1/20 0.39

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
SCHEMBL3929837 0.83 MAPK1 (0.40) KMT2AKDM4EMAPK1SMN1; SMN2HPGD
SCHEMBL3936587 0.80 MAPK1 (0.48) KMT2AMEN1BRCA1KDM4EMAPK1
SCHEMBL2393871 0.72 CYP1A2 (0.47) KMT2AMEN1KDM4EMAPK1ALDH1A1
SCHEMBL25164663 0.71 NOS3 (0.42)
SCHEMBL3936853 0.71 POLB (0.50) KMT2AKDM4ESMN1; SMN2L3MBTL1POLB
SCHEMBL3884465 0.71 CYP4F2 (0.48) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL31190874 0.70 CYP1A2 (0.41) KDM4EALDH1A1SMN1; SMN2HPGDCYP4F2
SCHEMBL3928245 0.69 CYP1A2 (0.44) MAPK1SMN1; SMN2L3MBTL1NPSR1CYP4F2
SCHEMBL3924887 0.68 AGBL2 (0.55) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL7447762 0.68 MAPK1 (0.49) KMT2AMEN1BRCA1KDM4EMAPK1

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