SCHEMBL9014905

SCHEMBL9014905

OCCOc1cnc2c(n1)CCCC2

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC29A1 Q99808 1/20 0.35
TIPARP Q7Z3E1 1/20 0.34
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PI4KA P42356 1/20 0.31
PIK3CG P48736 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
LOX P28300 1/20 0.31
AOC3 Q16853 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RECQL P46063 1/20 0.31
EP300 Q09472 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
SCHEMBL9014694 0.90 LOX (0.35) LOXAOC3
SCHEMBL9014730 0.82 CYP1A2 (0.32)
SCHEMBL9014958 0.81 CYP1A2 (0.31)
SCHEMBL9014769 0.79 CYP1A2 (0.30)
SCHEMBL9014882 0.76 KDM4E (0.33) ALDH1A1
SCHEMBL9014791 0.74 KDM4E (0.44) ALDH1A1
SCHEMBL9014871 0.74 KDM4E (0.44) KMT2AALDH1A1
SCHEMBL9014695 0.70 SLC6A2 (0.45) KMT2AALDH1A1
SCHEMBL4142777 0.69 NPC1 (0.33) ALDH1A1
SCHEMBL9014894 0.69 DRD2 (0.52) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5578596-A TREATMENT OF SEROTONERGIC NEURON RELATED DISEASES, MOTION SICKNESS, ANXIXETY, DEPRESSION ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1996-11-26 US disclosed
EP-0668276-A1 2-ALKOXY-5,6,7,8-TETRAHYDROQUINOXALINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-08-23 EP disclosed