SCHEMBL6328500

SCHEMBL6328500

Cc1ccc(-c2noc(CCCC(=O)NCCCNc3n[nH]c(=O)c4ccccc34)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
TSHR P16473 7/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
MAPT P10636 2/20 0.50
LMNA P02545 8/20 0.49
USP2 O75604 4/20 0.49
HTT P42858 4/20 0.49
MAPK1 P28482 3/20 0.49
ALDH1A1 P00352 4/20 0.48
ALOX15 P16050 1/20 0.48
HPGD P15428 3/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL6332642 0.98 GAA (0.54) GAATSHRSMN1; SMN2HDAC1HDAC2
SCHEMBL6325574 0.96 TSHR (0.58) GAATSHRSMN1; SMN2MAPTLMNA
SCHEMBL6325121 0.96 GAA (0.54) GAATSHRSMN1; SMN2HDAC1HDAC2
SCHEMBL6327228 0.94 TSHR (0.58) GAATSHRSMN1; SMN2MAPTLMNA
SCHEMBL6332801 0.93 HPGD (0.53) GAATSHRSMN1; SMN2HDAC1HDAC2
SCHEMBL6325850 0.92 HDAC1 (0.51) GAATSHRSMN1; SMN2HDAC1HDAC2
SCHEMBL6328068 0.92 HDAC1 (0.51) GAATSHRSMN1; SMN2HDAC1HDAC2
SCHEMBL6328158 0.91 HPGD (0.53) GAATSHRSMN1; SMN2HDAC1HDAC2
SCHEMBL6328207 0.91 GAA (0.53) GAATSHRSMN1; SMN2HDAC1HDAC2
SCHEMBL6325170 0.91 LMNA (0.51) GAATSHRSMN1; SMN2HDAC1HDAC2

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