SCHEMBL6328158

SCHEMBL6328158

O=C(CCCc1nc(-c2ccccc2)no1)NCCCCNc1n[nH]c(=O)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.53
ALDH1A1 P00352 4/20 0.53
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
HDAC1 Q13547 3/20 0.51
HDAC2 Q92769 3/20 0.51
HDAC8 Q9BY41 2/20 0.51
GAA P10253 3/20 0.51
TSHR P16473 2/20 0.48
CYP3A4 P08684 1/20 0.48
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL6332801 0.98 HPGD (0.53) HPGDALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL6325765 0.95 ALDH1A1 (0.54) HPGDALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL6324028 0.95 HPGD (0.59) HPGDALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL6326495 0.94 LMNA (0.51) HPGDALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL6327904 0.94 HPGD (0.59) HPGDALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL6327897 0.93 HDAC1 (0.51) HPGDALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL6332642 0.93 GAA (0.54) HPGDALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL6332518 0.93 HDAC1 (0.51) HPGDALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL6325170 0.92 LMNA (0.51) HPGDALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL6328500 0.91 GAA (0.54) HPGDALDH1A1LMNASMN1; SMN2MAPK1

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