SCHEMBL8602980

SCHEMBL8602980

Oc1ccnc2cc(/C=C/c3ccccc3)ccc12.Oc1ccnc2cc(CCc3ccccc3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.41
HDAC8 Q9BY41 4/20 0.41
APP P05067 3/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
ATG4B Q9Y4P1 2/20 0.41
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 2/20 0.39
HPGD P15428 1/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
IGF1R P08069 1/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 5/20 0.39
PTPN1 P18031 1/20 0.37

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
SCHEMBL8602982 1.00 HDAC1 (0.41) HDAC1HDAC8APPHDAC2HDAC11
SCHEMBL8810197 0.88 KDM4E (0.45) MEN1ALDH1A1LMNAMAPTKMT2A
SCHEMBL8604477 0.88 MEN1 (0.48) MEN1ALDH1A1LMNAMAPTKMT2A
SCHEMBL8604480 0.88 MEN1 (0.48) MEN1ALDH1A1LMNAMAPTKMT2A
SCHEMBL3871113 0.77 IDH1 (0.51) ALOX15HNF4ACYP1A2CYP2C9
SCHEMBL23842889 0.71 MAOB (0.52) ALDH1A1HPGDALOX15LCKPOLB
SCHEMBL8600012 0.70 LMNA (0.44) APPHDAC6ALDH1A1LMNAMAPT
SCHEMBL15483500 0.70 RECQL (0.44) LMNAMAPTALOX15KDM4ECYP1A2
SCHEMBL11061990 0.69 TRPA1 (0.47) MEN1ALDH1A1MAPTKMT2AHTT
SCHEMBL29955516 0.69 KDM4E (0.47) MEN1ALDH1A1LMNAMAPTKMT2A

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-5773449-A BACTERICIDES FOR HELICOBACTER ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 1998-06-30 US disclosed