SCHEMBL8489042

SCHEMBL8489042

Cc1nc2cc(Cl)c(CBr)cc2c(=O)n1COC(=O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 7/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 6/20 0.36
HSD17B10 Q99714 4/20 0.36
HPGD P15428 3/20 0.36
HTT P42858 2/20 0.36
HDAC8 Q9BY41 3/20 0.35
HDAC6 Q9UBN7 3/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
LMNA P02545 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35

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
SCHEMBL8489148 0.90 GAA (0.52) GAANPSR1POLBALDH1A1SMN1; SMN2
SCHEMBL5734450 0.89 POLB (0.41) GAANPSR1POLBALDH1A1SMN1; SMN2
Bromide SCHEMBL5734269 0.88 POLB (0.41) GAANPSR1POLBALDH1A1SMN1; SMN2
SCHEMBL7427899 0.88 POLB (0.41) GAANPSR1POLBALDH1A1SMN1; SMN2
SCHEMBL8485814 0.87 GAA (0.43) GAANPSR1POLBALDH1A1SMN1; SMN2
SCHEMBL8485856 0.82 GAA (0.43) GAANPSR1POLBALDH1A1SMN1; SMN2
SCHEMBL9300884 0.82 POLB (0.47) GAANPSR1POLBALDH1A1SMN1; SMN2
SCHEMBL8490703 0.81 SMN1; SMN2 (0.43) GAANPSR1POLBALDH1A1SMN1; SMN2
Benzoic Acid SCHEMBL8489705 0.80 ALDH1A1 (0.40) GAANPSR1ALDH1A1SMN1; SMN2MAPT
SCHEMBL9299066 0.80 POLB (0.43) GAANPSR1POLBALDH1A1SMN1; SMN2

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-5955463-A ANTITUMOR, ANTIINFLAMMATORY, AND ANTIARTHRITIC AGENTS ZENECA LIMITED (GB) 1999-09-21 US disclosed