SCHEMBL6328207

SCHEMBL6328207

COc1ccc(-c2noc(CCCC(=O)NCCCNc3n[nH]c(=O)c4ccccc34)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
HTT P42858 2/20 0.53
HDAC1 Q13547 2/20 0.53
TSHR P16473 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
HPGD P15428 4/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 2/20 0.51
HDAC2 Q92769 1/20 0.51
LMNA P02545 4/20 0.50
TP53 P04637 2/20 0.50
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL6332336 0.98 GAA (0.53) GAAHTTHDAC1TSHRSMN1; SMN2
SCHEMBL6328474 0.94 GAA (0.57) GAAHTTTSHRSMN1; SMN2HPGD
SCHEMBL6328500 0.91 GAA (0.54) GAAHTTHDAC1TSHRSMN1; SMN2
SCHEMBL6333150 0.91 TP53 (0.50) GAAHTTHDAC1TSHRSMN1; SMN2
SCHEMBL6323563 0.91 TSHR (0.57) GAAHTTTSHRSMN1; SMN2HPGD
SCHEMBL6332801 0.91 HPGD (0.53) GAAHTTHDAC1TSHRSMN1; SMN2
SCHEMBL6324590 0.90 GAA (0.44) GAAHTTHDAC1TSHRSMN1; SMN2
SCHEMBL6325850 0.90 HDAC1 (0.51) GAAHTTHDAC1TSHRSMN1; SMN2
SCHEMBL6328068 0.90 HDAC1 (0.51) GAAHTTHDAC1TSHRSMN1; SMN2
SCHEMBL6332642 0.90 GAA (0.54) GAAHTTHDAC1TSHRSMN1; SMN2

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