SCHEMBL27985186

SCHEMBL27985186

O=CNc1cccc2cccn12

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TGFBR1 P36897 1/20 0.30
PABPC1 P11940 1/20 0.30

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
SCHEMBL28266002 0.71
SCHEMBL28194790 0.71
SCHEMBL28028310 0.71
SCHEMBL2008755 0.68 TRIM24 (0.50) ALDH1A1KDM4EMAPTNPSR1
SCHEMBL27589253 0.67 TRIM24 (0.48) ALDH1A1KDM4EMAPTNPSR1
SCHEMBL28295721 0.65 ALDH1A1 (0.33) ALDH1A1
SCHEMBL28191639 0.65 ALDH1A1 (0.42) ALDH1A1
SCHEMBL277146 0.64 ALOX15 (0.36) ALDH1A1KDM4EMAPT
SCHEMBL277147 0.64 ALOX15 (0.36) ALDH1A1KDM4E
SCHEMBL28302067 0.64 IDH1 (0.43) ALDH1A1KDM4EPABPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104066330-A Isoxazoline derivatives for controlling ectoparasites LILLY CO ELI 2014-09-24 CN claimed
CN-104066330-B Isoxazoline derivatives for controlling ectoparasites ANACOR PHARMACEUTICALS, INC. (US) 2016-05-18 CN disclosed
CN-104066330-A Isoxazoline derivatives for controlling ectoparasites LILLY CO ELI 2014-09-24 CN disclosed