SCHEMBL28017155

SCHEMBL28017155

CC(C)C(=O)Oc1ccccc1CN

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.45
ELANE P08246 2/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ADRB2 P07550 1/20 0.41
ADRA2A P08913 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA2C P18825 1/20 0.41
DRD1 P21728 1/20 0.41
ADRA1A P35348 1/20 0.41
DRD3 P35462 1/20 0.41
HTT P42858 2/20 0.39
HPGD P15428 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHRM2 P08172 1/20 0.37

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
SCHEMBL8530900 0.90 HTT (0.37) ALOX15ELANEHTTHPGDIRAK4
SCHEMBL12677517 0.87 KMT2A (0.41) ALOX15MEN1KMT2AHTTHPGD
SCHEMBL27978860 0.86 KDM4E (0.37) HTTHPGDTAAR1L3MBTL1KDM4E
SCHEMBL4666170 0.85 ALOX15 (0.47) ALOX15ELANEMEN1KMT2AADRB2
SCHEMBL11295860 0.84 EPHX1 (0.48) ALOX15ELANEMEN1KMT2AADRB2
SCHEMBL27674000 0.84 ALOX15 (0.46) ALOX15ELANEMEN1KMT2AADRB2
SCHEMBL20168322 0.83 IDO1 (0.56) ALOX15ELANEMEN1KMT2AADRB2
SCHEMBL15547599 0.82 ALOX15 (0.55) ALOX15ELANEMEN1KMT2AADRB2
SCHEMBL2928329 0.82 ALOX15 (0.45) ALOX15ELANEMEN1KMT2AADRB2
SCHEMBL28024055 0.82 ELANE (0.44) ALOX15ELANEMEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104884442-B Terazololine-one compound and application thereof 住友化学株式会社 2016-11-02 CN disclosed
CN-104684908-B Terazololine-one compound and the purposes as insecticide thereof 住友化学株式会社 2016-09-28 CN disclosed
CN-104884442-A Tetrazolinone compound and applications thereof SUMITOMO CHEMICAL CO 2015-09-02 CN disclosed
CN-104684908-A Tetrazolinone compounds and their use as pesticides SUMITOMO CHEMICAL CO 2015-06-03 CN disclosed