SCHEMBL9450146

SCHEMBL9450146

CC(C)CCn1cnc2ccccc21.CCn1cnc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.62
LMNA P02545 6/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
HTT P42858 5/20 0.53
APAF1 O14727 1/20 0.50
EGLN3 Q9H6Z9 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TSHR P16473 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PKM P14618 1/20 0.48
GGPS1 O95749 1/20 0.48
FDPS P14324 1/20 0.48
MAPK1 P28482 1/20 0.48
ALOX15 P16050 1/20 0.48
CYP11B1 P15538 3/20 0.47
CYP11B2 P19099 3/20 0.47
TNF P01375 1/20 0.47
MAPT P10636 1/20 0.47
STAT3 P40763 1/20 0.47
MEN1 O00255 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
SCHEMBL1023745 0.94 TDP1 (0.70) TDP1LMNASMN1; SMN2HTTAPAF1
SCHEMBL226221 0.85 TDP1 (0.70) TDP1LMNASMN1; SMN2HTTAPAF1
SCHEMBL10130604 0.84 TDP1 (0.66) TDP1LMNASMN1; SMN2HTTAPAF1
SCHEMBL13723111 0.83 TDP1 (0.64) TDP1LMNASMN1; SMN2HTTAPAF1
SCHEMBL6174975 0.83 TDP1 (0.68) TDP1LMNASMN1; SMN2HTTAPAF1
SCHEMBL9181106 0.82 TDP1 (0.62) TDP1LMNASMN1; SMN2HTTAPAF1
SCHEMBL10894684 0.81 TDP1 (0.66) TDP1LMNASMN1; SMN2HTTAPAF1
SCHEMBL2380384 0.81 TDP1 (0.65) TDP1LMNASMN1; SMN2HTTEGLN3
SCHEMBL230355 0.80 TDP1 (0.63) TDP1LMNASMN1; SMN2HTTAPAF1
SCHEMBL229631 0.79 TDP1 (0.61) TDP1LMNASMN1; SMN2HTTAPAF1

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
EP-0541720-A4 GOLFOMYCIN DERIVATIVES: NOVEL FUSED RING CYCLODECADIYNE DERIVATIVES 1993-09-01 EP disclosed
EP-0541720-A1 GOLFOMYCIN DERIVATIVES: NOVEL FUSED RING CYCLODECADIYNE DERIVATIVES SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1993-05-19 EP disclosed
WO-1992002480-A1 GOLFOMYCIN DERIVATIVES: NOVEL FUSED RING CYCLODECADIYNE DERIVATIVES SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1992-02-20 WO disclosed