SCHEMBL8685682

SCHEMBL8685682

O=Cc1cccc2c1ccn2Cc1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.52
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
APP P05067 3/20 0.41
SLC22A12 Q96S37 1/20 0.41
ALDH1A1 P00352 7/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 4/20 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
SCHEMBL6800946 0.83 ALDH1A1 (0.57) SLC22A12ALDH1A1SMN1; SMN2LMNATDP1
SCHEMBL2646725 0.82 ALDH1A1 (0.39) SLC2A1APPALDH1A1SMN1; SMN2LMNA
SCHEMBL8394619 0.79 APP (0.63) SLC2A1APPALDH1A1SMN1; SMN2LMNA
SCHEMBL8690879 0.78 HDAC3 (0.46) SLC2A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL8685406 0.78 APP (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8809703 0.78 HPGD (0.53) MEN1KMT2AHPGD
SCHEMBL8809700 0.78 HPGD (0.53) MEN1KMT2AHPGD
SCHEMBL31668270 0.75 SIRT2 (0.38) APPALDH1A1SMN1; SMN2LMNATDP1
SCHEMBL8685545 0.74 FABP6 (0.41) APPALDH1A1SMN1; SMN2LMNATDP1
SCHEMBL2646681 0.74 ALDH1A1 (0.52) APPALDH1A1SMN1; SMN2LMNATDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811439-A ANTIDIABETIC AGENTS; SIDE EFFECT REDUCTION; ANTILEPEMIC AGENTS SENGA PHARMACEUTICAL LABORATORY INC. (JP) 1998-09-22 US disclosed
EP-0780389-A1 Thiazolidinedione derivatives, process for their preparation and pharmaceutical compositions containing them TOBISHI PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP disclosed