SCHEMBL1664501

SCHEMBL1664501

CCOc1cc(C(F)(F)F)n2nc(C(=O)O)c(C(=O)O)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.39
▸ HPGD P15428 4/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ CASP1 P29466 3/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ ALPL P05186 2/20 0.35
▸ ALPI P09923 2/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ GAA P10253 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
SCHEMBL1663539 0.82 MAPT (0.36) MAPTHPGDKDM4ECASP1HSD17B10
SCHEMBL1663187 0.77 MAPT (0.40) MAPTHPGDKDM4ECASP1HSD17B10
SCHEMBL26651257 0.72 KDM4E (0.36) MAPTHPGDKDM4ECASP1HSD17B10
SCHEMBL1664819 0.71 F2 (0.37) MAPTHPGDKDM4ECASP1HSD17B10
SCHEMBL1662907 0.71 ALDH1A1 (0.48) MAPTHPGDKDM4ECASP1HSD17B10
SCHEMBL1662624 0.69 MAPT (0.43) MAPTHPGDKDM4ECASP1HSD17B10
SCHEMBL1662834 0.68 KDM4E (0.48) MAPTHPGDKDM4ECASP1HSD17B10
SCHEMBL1663125 0.68 ALDH1A1 (0.40) MAPTHPGDKDM4ECASP1HSD17B10
SCHEMBL25372714 0.66 ALDH1A1 (0.45) MAPTHPGDKDM4ECASP1HSD17B10
SCHEMBL2799007 0.65 PTGS2 (0.44) HPGDKDM4EHSD17B10ALDH1A1PKM

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-2011050284-A1 PYRAZOLYLPYRIDINE ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-04-28 — — WO disclosed
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