SCHEMBL6325170

SCHEMBL6325170

O=C(CCCc1nc(-c2ccncc2)no1)NCCCNc1n[nH]c(=O)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.51
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
HPGD P15428 3/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
GAA P10253 3/20 0.45
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
DNMT3B Q9UBC3 1/20 0.44
PARP12 Q9H0J9 1/20 0.43
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL6326495 0.98 LMNA (0.51) LMNAALDH1A1SMN1; SMN2MAPK1HTT
SCHEMBL6330578 0.96 LMNA (0.51) LMNAALDH1A1SMN1; SMN2MAPK1HTT
SCHEMBL6332801 0.94 HPGD (0.53) LMNAALDH1A1SMN1; SMN2MAPK1HTT
SCHEMBL6328158 0.92 HPGD (0.53) LMNAALDH1A1SMN1; SMN2MAPK1HTT
SCHEMBL6325850 0.91 HDAC1 (0.51) LMNAALDH1A1SMN1; SMN2MAPK1HTT
SCHEMBL6328068 0.91 HDAC1 (0.51) LMNAALDH1A1SMN1; SMN2MAPK1HTT
SCHEMBL6328500 0.91 GAA (0.54) LMNAALDH1A1SMN1; SMN2MAPK1HTT
SCHEMBL6328554 0.90 HDAC1 (0.53) LMNAALDH1A1SMN1; SMN2MAPK1HTT
SCHEMBL6325765 0.90 ALDH1A1 (0.54) LMNAALDH1A1SMN1; SMN2MAPK1HTT
SCHEMBL6327904 0.90 HPGD (0.59) LMNAALDH1A1SMN1; SMN2MAPK1HTT

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
US-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 US disclosed