SCHEMBL6932984

SCHEMBL6932984

C=CCOc1ccc(C#N)c(F)c1.N#Cc1ccc(O)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
MAOB P27338 3/20 0.39
MAOA P21397 2/20 0.39
KAT6A Q92794 2/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
ALDH2 P05091 1/20 0.38
TRPV4 Q9HBA0 5/20 0.37
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
SLC5A1 P13866 1/20 0.36
SLC5A2 P31639 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL3965716 0.92 MEN1 (0.45) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL7408997 0.83 MAPT (0.46) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL28303519 0.80 PLA2G7 (0.46) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL176946 0.77 TRPV4 (0.57) CYP11B1CYP11B2TRPV4ESR1ESR2
SCHEMBL11011101 0.77 CA12 (0.43) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL31122790 0.75 TRPV4 (0.55) CYP11B1CYP11B2TRPV4ESR1ESR2
SCHEMBL26335081 0.75 MAPT (0.49) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL8118733 0.74 KAT6A (0.37) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL27957723 0.74 MAPT (0.50) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL2476400 0.74 MRGPRX4 (0.47) MAPTMEN1LMNAKMT2ASMN1; SMN2

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
EP-1363876-A1 GLUCOCORTICOID RECEPTOR MODULATORS Abbott Laboratories (US) 2003-11-26 EP disclosed
WO-2002064550-A1 GLUCOCORTICOID RECEPTOR MODULATORS ABBOTT LABORATORIES (US) 2002-08-22 WO disclosed