SCHEMBL7690010

SCHEMBL7690010

BrCCCCCCCCCCOc1ccc(Br)c2sccc12

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.32
PLAU P00749 1/20 0.32
ST14 Q9Y5Y6 1/20 0.32
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
KCNA3 P22001 1/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL7694782 0.81 PPARG (0.31) PPARGPPARA
SCHEMBL8780078 0.80 LMNA (0.55) LMNASMN1; SMN2KDM4EALDH1A1TDP1
SCHEMBL8780092 0.79 LMNA (0.54) LMNASMN1; SMN2KDM4EALDH1A1TDP1
SCHEMBL8780095 0.78 LMNA (0.53) LMNASMN1; SMN2KDM4EALDH1A1TDP1
SCHEMBL8780106 0.77 SMN1; SMN2 (0.52) LMNASMN1; SMN2KDM4EALDH1A1TDP1
SCHEMBL22122392 0.76 CA2 (0.35) PPARGPPARAALDH1A1TDP1
SCHEMBL7695206 0.74 GPR84 (0.49) KCNA3LMNATDP1
SCHEMBL7692757 0.74 NCF1 (0.38) KCNA3
SCHEMBL3167254 0.73 PPARG (0.41) PPARGPPARALMNAALDH1A1
SCHEMBL8780247 0.72 KCNA3 (0.38) KCNA3

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-2002024619-A1 AMINE COMPOUNDS BTG INTERNATIONAL LIMITED (GB) 2002-03-28 WO disclosed