SCHEMBL5198155

SCHEMBL5198155

CCC1C(C)=NN=C(c2ccccc2OC)c2cc(OC)c(OC)cc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
CHRM1 P11229 1/20 0.69
PDE4A P27815 1/20 0.69
PDE4D Q08499 1/20 0.69
PDE3A Q14432 1/20 0.69
ALDH1A1 P00352 5/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.38
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
HSD17B10 Q99714 3/20 0.36
HPGD P15428 3/20 0.35
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL5425871 1.00 MEN1 (0.69) MEN1KMT2ACHRM1PDE4APDE4D
SCHEMBL5424934 1.00 MEN1 (0.69) MEN1KMT2ACHRM1PDE4APDE4D
SCHEMBL7412414 0.93 MEN1 (0.60) MEN1KMT2ACHRM1PDE4APDE4D
SCHEMBL5428125 0.93 MEN1 (0.60) MEN1KMT2ACHRM1PDE4APDE4D
SCHEMBL5431277 0.93 MEN1 (0.60) MEN1KMT2ACHRM1PDE4APDE4D
SCHEMBL7441797 0.91 MEN1 (0.67) MEN1KMT2ACHRM1PDE4APDE4D
SCHEMBL7437412 0.90 MEN1 (0.66) MEN1KMT2ACHRM1PDE4APDE4D
SCHEMBL7429331 0.89 MEN1 (0.65) MEN1KMT2ACHRM1PDE4APDE4D
SCHEMBL7432689 0.87 MEN1 (0.77) MEN1KMT2ACHRM1PDE4APDE4D
Tofisopam SCHEMBL8086894 0.82 KMT2A (1.00) MEN1KMT2ACHRM1PDE4APDE4D

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
EP-1761507-A1 PHOSPHODIESTERASE-INHIBITING COMPOUNDS OF THE 2,3-BENZODIAZEPINE TYPE Greenpharma (FR) 2007-03-14 EP disclosed
WO-2005113517-A1 PHOSPHODIESTERASE-INHIBITING COMPOUNDS OF THE 2,3-BENZODIAZEPINE TYPE GREENPHARMA (FR) 2005-12-01 WO disclosed