SCHEMBL8938082

SCHEMBL8938082

CCC(C)C(C)C(Br)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 2/20 0.41
TP53 P04637 3/20 0.39
MAPK1 P28482 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 5/20 0.38
HTT P42858 2/20 0.38
CASP3 P42574 1/20 0.38
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL14928782 0.79 TDP1 (0.51) TDP1LMNATP53MAPK1CYP3A4
SCHEMBL14928399 0.79 TDP1 (0.51) TDP1LMNATP53MAPK1CYP3A4
SCHEMBL17916019 0.78 TDP1 (0.50) TDP1LMNATP53MAPK1NPSR1
SCHEMBL14928530 0.77 TDP1 (0.50) TDP1LMNATP53MAPK1CYP3A4
SCHEMBL9237832 0.77 TDP1 (0.49) TDP1LMNATP53MAPK1CYP3A4
SCHEMBL2247257 0.77 TDP1 (0.49) TDP1LMNATP53MAPK1CYP3A4
SCHEMBL19615470 0.74 TDP1 (0.50) TDP1LMNATP53MAPK1CYP3A4
SCHEMBL29459229 0.74 TDP1 (0.65) TDP1LMNATP53ALDH1A1HTT
SCHEMBL6127956 0.74 TDP1 (0.65) TDP1LMNATP53ALDH1A1HTT
SCHEMBL14570441 0.74 TDP1 (0.65) TDP1LMNATP53ALDH1A1HTT

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-0635023-A4 COVALENTLY CROSS-LINKED OLIGONUCLEOTIDES. ISIS PHARMACEUTICALS INC (US) 1996-03-20 EP disclosed
EP-0635023-A1 COVALENTLY CROSS-LINKED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 1995-01-25 EP disclosed
WO-1993018052-A1 COVALENTLY CROSS-LINKED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 1993-09-16 WO disclosed