SCHEMBL7602072

SCHEMBL7602072

C1=CCOC=C1.O=C1C=Nc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
MCL1 Q07820 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.31
EIF2AK2 P19525 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL1497963 0.78 CDC25B (0.42) KMT2AMAPTALDH1A1HPGDMCL1
SCHEMBL29409962 0.78 CDC25B (0.42) KMT2AMAPTALDH1A1HPGDMCL1
Naphthoquinone SCHEMBL1234009 0.77 CDC25B (0.52) KMT2AMAPTALDH1A1HPGDMEN1
Methane SCHEMBL28363844 0.76 KMT2A (0.40) KMT2AMAPTALDH1A1HPGDMCL1
Hydrochloric Acid SCHEMBL10860848 0.76 KMT2A (0.40) KMT2AMAPTALDH1A1HPGDMCL1
Hydrochloric Acid SCHEMBL10863150 0.76 KMT2A (0.40) KMT2AMAPTALDH1A1HPGDMCL1
Potassium SCHEMBL31207020 0.76 KMT2A (0.40) KMT2AMAPTALDH1A1HPGDMCL1
SCHEMBL28135562 0.74 S100A4 (0.35) KMT2AMAPTALDH1A1HPGDMCL1
Phosphoric Acid SCHEMBL29216371 0.70 MAPT (0.40) KMT2AMAPTALDH1A1HPGDMCL1
Triphenylene SCHEMBL5429154 0.68 KDM4E (0.30) MAPTALDH1A1HPGDKDM4E

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
EP-0690054-B1 1-Amino-2-cyclohexene derivatives and production process therefor KURARAY CO (JP) 2002-11-20 EP disclosed
US-5587486-A CONDENSATION; CARBONYLATION; HYDROLYSIS; INTERMEDIATES IN THE PRODUCTION OF MEDICINAL AND AGRICULTURAL AGENTS KURARAY CO., LTD. (JP) 1996-12-24 US disclosed
EP-0690054-A1 1-Amino-2-cyclohexene derivatives and production process therefor KURARAY CO., LTD. (JP) 1996-01-03 EP disclosed