SCHEMBL5596789

SCHEMBL5596789

OC(CNc1n[c]ccn1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.54
KDM4E B2RXH2 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
AOC3 Q16853 3/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.40
FAAH O00519 4/20 0.40
ADRB2 P07550 1/20 0.40
BCAT2 O15382 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39

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
Fenyripol SCHEMBL828783 0.82 CYP2D6 (0.70) CYP2D6KDM4EL3MBTL1AOC3NPC1
Fenyripol SCHEMBL120829 0.81 CYP2D6 (0.68) CYP2D6KDM4EL3MBTL1AOC3NPC1
SCHEMBL5759858 0.76 IDH2 (0.35) KDM4E
SCHEMBL5832242 0.73 ESR1 (0.43) SMN1; SMN2
SCHEMBL5597057 0.71 HPGD (0.54) KDM4EL3MBTL1SMN1; SMN2HPGDMAPK1
SCHEMBL2638609 0.71 HDAC3 (0.48) HPGD
Phenyramidol SCHEMBL13310227 0.70 CYP2D6 (1.00) CYP2D6KDM4EL3MBTL1AOC3HTT
Phenyramidol SCHEMBL13310219 0.70 CYP2D6 (1.00) CYP2D6KDM4EL3MBTL1AOC3HTT
Phenyramidol SCHEMBL29500950 0.70 CYP2D6 (1.00) CYP2D6KDM4EL3MBTL1AOC3HTT
Phenyramidol SCHEMBL21963 0.70 CYP2D6 (1.00) CYP2D6KDM4EL3MBTL1AOC3HTT

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
EP-1696909-B1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES SERONO LAB (CH) 2007-11-14 EP claimed