SCHEMBL8027893

SCHEMBL8027893

BrC(Br)=CCOc1cccc2cccnc12

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 3/20 0.54
MAPT P10636 4/20 0.54
RAB9A P51151 7/20 0.52
NPC1 O15118 6/20 0.52
KDM4E B2RXH2 4/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
GAA P10253 1/20 0.48
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL8027680 0.84 MAPT (0.54) SMN1; SMN2LMNAMAPTRAB9ANPC1
SCHEMBL574340 0.79 MAPT (0.55) SMN1; SMN2LMNAMAPTRAB9ANPC1
SCHEMBL5215459 0.79 RAB9A (0.55) SMN1; SMN2LMNAMAPTRAB9ANPC1
SCHEMBL10365954 0.76 ALOX15 (0.58) SMN1; SMN2LMNAMAPTRAB9ANPC1
SCHEMBL10365953 0.76 ALOX15 (0.58) SMN1; SMN2LMNAMAPTRAB9ANPC1
SCHEMBL27919535 0.76 LMNA (0.63) SMN1; SMN2LMNAMAPTRAB9ANPC1
SCHEMBL10367558 0.76 MAPT (0.53) SMN1; SMN2LMNAMAPTRAB9ANPC1
SCHEMBL10367557 0.76 MAPT (0.53) SMN1; SMN2LMNAMAPTRAB9ANPC1
SCHEMBL8886917 0.76 MAPT (0.61) SMN1; SMN2LMNAMAPTRAB9ANPC1
SCHEMBL9284192 0.74 MAPT (0.68) SMN1; SMN2LMNAMAPTRAB9ANPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000037400-A1 HALOGENATION IN IONIC LIQUIDS INEOS CHLOR LIMITED (GB) 2000-06-29 WO disclosed
EP-0975586-A2 OXIME COMPOUNDS, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION Sumitomo Chemical Company, Limited (JP) 2000-02-02 EP disclosed
WO-1998045254-A2 OXIME COMPOUNDS, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-10-15 WO disclosed