SCHEMBL16623261

SCHEMBL16623261

COc1cc(OC)c2oc(CN=O)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.40
MAOB P27338 2/20 0.36
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 1/20 0.36
PIM1 P11309 1/20 0.35
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP3A4 P08684 2/20 0.35
GLA P06280 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
XDH P47989 1/20 0.34
ADORA3 P0DMS8 2/20 0.33
MEN1 O00255 2/20 0.33

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
SCHEMBL16623287 0.86 SLC22A12 (0.40) SLC22A12MAOBALDH1A1KDM4EHPGD
SCHEMBL118295 0.80 SLC22A12 (0.42) SLC22A12MAOBHIF1AEPAS1PIM1
SCHEMBL118769 0.80 SLC22A12 (0.40) SLC22A12MAOBHIF1AEPAS1PIM1
SCHEMBL22336290 0.79 SLC22A12 (0.36) SLC22A12
SCHEMBL22336151 0.77 CCR4 (0.38) SLC22A12KDM4ELMNAMEN1KMT2A
SCHEMBL22336249 0.74 ALDH1A1 (0.36) SLC22A12ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL16623281 0.74 CYP2A6 (0.51) MAOBALDH1A1KDM4EHPGDPDE3B
SCHEMBL19970441 0.70 MAOB (0.38) MAOBPIM1ALDH1A1KDM4EHPGD
SCHEMBL120165 0.70 ERN1 (0.44) MAOBHIF1APIM1ALDH1A1KDM4E
SCHEMBL21230500 0.70 NPC1 (0.45) SLC22A12MAOBALDH1A1KDM4EHPGD

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-2857018-A1 Treatment or prophylaxis of proliferative conditions University Court of The University of Dundee (GB) 2015-04-08 EP disclosed