SCHEMBL3928781

SCHEMBL3928781

FC(F)(F)c1cnc(N2CCOCC2)c(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.69
KMT2A Q03164 4/20 0.65
MAPT P10636 6/20 0.60
TSHR P16473 1/20 0.60
NR4A1 P22736 1/20 0.60
SMN1; SMN2 Q16637 7/20 0.58
HPGD P15428 1/20 0.58
HTT P42858 1/20 0.58
LMNA P02545 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
MEN1 O00255 3/20 0.56
ALDH1A1 P00352 3/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TP53 P04637 1/20 0.56
SLC6A9 P48067 1/20 0.56
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL9105524 0.86 POLB (0.75) POLBKMT2AMAPTSMN1; SMN2HPGD
SCHEMBL5284197 0.86 MAPT (0.58) POLBKMT2AMAPTTSHRNR4A1
SCHEMBL10331374 0.85 POLB (0.50) POLBKMT2AMAPTTSHRNR4A1
SCHEMBL4907149 0.83 POLB (0.71) POLBKMT2AMAPTSMN1; SMN2HPGD
SCHEMBL1999759 0.83 POLB (0.71) POLBKMT2AMAPTSMN1; SMN2HPGD
SCHEMBL25224506 0.82 POLB (0.61) POLBKMT2AMAPTSMN1; SMN2HPGD
SCHEMBL30409231 0.82 POLB (0.61) POLBKMT2AMAPTSMN1; SMN2HPGD
SCHEMBL232841 0.82 POLB (0.69) POLBKMT2AMAPTSMN1; SMN2HPGD
SCHEMBL14136353 0.82 SMN1; SMN2 (0.70) POLBKMT2AMAPTSMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL25310714 0.81 POLB (0.68) POLBKMT2AMAPTSMN1; SMN2HPGD

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