SCHEMBL8285453

SCHEMBL8285453

CCOC(=O)C1=C(Cc2ccc(F)cc2)C(=O)c2ccccc2C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 1.00
ALDH1A1 P00352 10/20 1.00
LMNA P02545 10/20 1.00
NPSR1 Q6W5P4 8/20 1.00
HPGD P15428 8/20 1.00
KDM4E B2RXH2 8/20 1.00
MEN1 O00255 6/20 1.00
KMT2A Q03164 6/20 1.00
ALOX12 P18054 4/20 1.00
HKDC1 Q2TB90 4/20 1.00
CCR6 P51684 3/20 1.00
KDM4C Q9H3R0 1/20 1.00
SMN1; SMN2 Q16637 6/20 0.81
TDP1 Q9NUW8 4/20 0.81
HTT P42858 4/20 0.81
PKM P14618 4/20 0.81
STAT3 P40763 1/20 0.81
KCNH2 Q12809 1/20 0.81
HSP90AA1 P07900 2/20 0.77
TNF P01375 1/20 0.77

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
SCHEMBL9904910 0.91 MAPT (0.87) MAPTALDH1A1LMNANPSR1HPGD
SCHEMBL8285454 0.89 MAPT (1.00) MAPTALDH1A1LMNANPSR1HPGD
SCHEMBL8285456 0.87 MAPT (1.00) MAPTALDH1A1LMNANPSR1HPGD
SCHEMBL8285451 0.86 MAPT (1.00) MAPTALDH1A1LMNANPSR1HPGD
SCHEMBL8286963 0.79 MAPT (0.84) MAPTALDH1A1LMNANPSR1HPGD
SCHEMBL12833647 0.77 ALDH1A1 (0.62) MAPTALDH1A1LMNANPSR1HPGD
SCHEMBL10370782 0.76 MAPT (0.67) MAPTALDH1A1LMNANPSR1HPGD
SCHEMBL9793702 0.74 MAPT (0.61) MAPTALDH1A1LMNANPSR1HPGD
SCHEMBL9793743 0.73 MAPT (0.60) MAPTALDH1A1LMNANPSR1HPGD
SCHEMBL10751474 0.73 MAPT (0.64) MAPTALDH1A1LMNANPSR1HPGD

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
WO-2005053609-A2 METHODS OF NAD+-DEPENDENT DEACETYLASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2005-06-16 WO disclosed