SCHEMBL6333326

SCHEMBL6333326

O=C(CCCc1nc(-c2cccc(Cl)c2Cl)no1)NCCCNc1n[nH]c(=O)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.50
LMNA P02545 3/20 0.49
ALDH1A1 P00352 5/20 0.49
HDAC1 Q13547 3/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
ATM Q13315 1/20 0.46
GAA P10253 2/20 0.46
RAB9A P51151 1/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 2/20 0.46
TP53 P04637 1/20 0.43
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
AURKB Q96GD4 1/20 0.40
MAPK1 P28482 2/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL6326450 0.96 ALDH1A1 (0.54) NPSR1LMNAALDH1A1HDAC1HDAC2
SCHEMBL6332476 0.93 NPSR1 (0.47) NPSR1LMNAALDH1A1HDAC1HDAC2
SCHEMBL6332651 0.88 ALDH1A1 (0.51) NPSR1LMNAALDH1A1HDAC1HDAC2
SCHEMBL6328017 0.88 ALDH1A1 (0.53) NPSR1LMNAALDH1A1HDAC1HDAC2
SCHEMBL6328068 0.86 HDAC1 (0.51) LMNAALDH1A1HDAC1HDAC2GAA
SCHEMBL6334607 0.86 ALDH1A1 (0.49) NPSR1LMNAALDH1A1HDAC1HDAC2
SCHEMBL6332801 0.86 HPGD (0.53) LMNAALDH1A1HDAC1HDAC2HDAC8
SCHEMBL6324511 0.85 SMN1; SMN2 (0.45) NPSR1LMNAALDH1A1HDAC1HDAC2
SCHEMBL6327897 0.85 HDAC1 (0.51) LMNAALDH1A1HDAC1HDAC2GAA
SCHEMBL6328158 0.84 HPGD (0.53) LMNAALDH1A1HDAC1HDAC2HDAC8

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