SCHEMBL8489148

SCHEMBL8489148

Cc1nc2cc(Cl)c(CBr)cc2c(=O)n1CCOC(=O)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.52
POLB P06746 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HAT1 O14929 1/20 0.36
KAT7 O95251 1/20 0.36
EP300 Q09472 1/20 0.36
RBBP7 Q16576 1/20 0.36
CREBBP Q92793 1/20 0.36
EIF4EBP1 Q13541 8/20 0.36
ALDH1A1 P00352 4/20 0.36
TNF P01375 1/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
USP2 O75604 1/20 0.35
NOD2 Q9HC29 1/20 0.35
MEN1 O00255 1/20 0.34

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
SCHEMBL8489042 0.90 GAA (0.40) GAAPOLBNPSR1ALDH1A1TNF
SCHEMBL5734450 0.79 POLB (0.41) GAAPOLBNPSR1ALDH1A1TNF
SCHEMBL8489146 0.78 SMN1; SMN2 (0.31) GAAPOLBNPSR1ALDH1A1MAPT
SCHEMBL7427899 0.78 POLB (0.41) GAAPOLBNPSR1ALDH1A1TNF
Bromide SCHEMBL5734269 0.78 POLB (0.41) GAAPOLBNPSR1ALDH1A1TNF
SCHEMBL8485814 0.76 GAA (0.43) GAAPOLBNPSR1ALDH1A1TNF
SCHEMBL8485856 0.72 GAA (0.43) GAAPOLBNPSR1ALDH1A1TNF
Benzoic Acid SCHEMBL8489705 0.71 ALDH1A1 (0.40) GAANPSR1EIF4EBP1ALDH1A1MAPT
SCHEMBL9300884 0.71 POLB (0.47) GAAPOLBNPSR1ALDH1A1TNF
SCHEMBL8490703 0.70 SMN1; SMN2 (0.43) GAAPOLBNPSR1ALDH1A1MAPT

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