SCHEMBL3936587

SCHEMBL3936587

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.48
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 5/20 0.47
KMT2A Q03164 5/20 0.47
TP53 P04637 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
HSD17B10 Q99714 3/20 0.47
TLR9 Q9NR96 3/20 0.47
LMNA P02545 3/20 0.47
S1PR4 O95977 1/20 0.47
S1PR1 P21453 1/20 0.47
STAT3 P40763 1/20 0.47
STAT1 P42224 1/20 0.47
SDHB P21912 1/20 0.44
BCL2A1 Q16548 2/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL3939261 0.83 HPGD (0.41) MAPK1ALDH1A1SMN1; SMN2L3MBTL1POLB
SCHEMBL3935783 0.80 KMT2A (0.43) MAPK1ALDH1A1SMN1; SMN2L3MBTL1POLB
SCHEMBL7447762 0.77 MAPK1 (0.49) MAPK1ALDH1A1SMN1; SMN2L3MBTL1POLB
SCHEMBL3937555 0.74 SYK (0.50) MAPK1ALDH1A1SMN1; SMN2L3MBTL1POLB
SCHEMBL3928478 0.72 KCNQ3 (0.47) MAPK1ALDH1A1SMN1; SMN2L3MBTL1POLB
SCHEMBL3936853 0.72 POLB (0.50) SMN1; SMN2L3MBTL1POLBHPGDKMT2A
SCHEMBL3928245 0.69 CYP1A2 (0.44) MAPK1SMN1; SMN2L3MBTL1NPSR1MAPT
SCHEMBL3924887 0.69 AGBL2 (0.55) ALDH1A1SMN1; SMN2L3MBTL1POLBHPGD
SCHEMBL18486995 0.69 HSP90AA1 (0.41) ALDH1A1L3MBTL1HPGDKMT2ANPSR1
SCHEMBL3884465 0.69 CYP4F2 (0.48) ALDH1A1SMN1; SMN2KMT2AHSD17B10LMNA

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