SCHEMBL6204978

SCHEMBL6204978

COc1cccc(C2COC(N)=C2C#N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.55
HSD17B10 Q99714 2/20 0.55
ALDH1A1 P00352 11/20 0.49
CYP19A1 P11511 1/20 0.49
KDM4E B2RXH2 4/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
THRB P10828 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
USP2 O75604 1/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.43
SHMT2 P34897 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 1/20 0.42
GFER P55789 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL4427840 0.73 MEN1 (0.71) MAPK1HSD17B10ALDH1A1KDM4EMAPT
SCHEMBL31237204 0.72 MAPK1 (0.65) MAPK1HSD17B10ALDH1A1KDM4EMAPT
SCHEMBL4320562 0.72 MAPK1 (0.65) MAPK1HSD17B10ALDH1A1KDM4EMAPT
SCHEMBL31237623 0.72 MEN1 (0.78) MAPK1HSD17B10ALDH1A1KDM4EMAPT
SCHEMBL4426708 0.70 ALDH1A1 (0.57) MAPK1HSD17B10ALDH1A1KDM4EMAPT
SCHEMBL3023520 0.70 ALDH1A1 (0.64) MAPK1HSD17B10ALDH1A1KDM4EMAPT
SCHEMBL4426684 0.69 MAPK1 (0.61) MAPK1HSD17B10ALDH1A1KDM4EMAPT
SCHEMBL3605267 0.69 CYP19A1 (0.47) ALDH1A1CYP19A1CYP3A4HTR2AHTR2C
SCHEMBL8549111 0.68 ALDH1A1 (0.72) MAPK1HSD17B10ALDH1A1KDM4EMAPT
SCHEMBL6229682 0.68 HSD17B10 (0.51) MAPK1HSD17B10ALDH1A1CYP19A1KDM4E

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-1392683-A4 SUBSTITUTED 4 i H /i -CHROMENES AND ANALOGS AS ACTIVATORS OFGASP ASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2005-10-26 EP claimed
EP-1392683-A1 SUBSTITUTED 4 i H /i -CHROMENES AND ANALOGS AS ACTIVATORS OFGASP ASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2004-03-03 EP claimed
WO-2002092594-A1 SUBSTITUTED 4H-CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2002-11-21 WO claimed