SCHEMBL13601123

SCHEMBL13601123

COc1cccc(C2C(C#N)=C(N)Oc3c2ccc2c3CCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.58
HSD17B10 Q99714 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.51
MYB P10242 10/20 0.50
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
THRB P10828 1/20 0.47
HIF1A Q16665 1/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 1/20 0.44
CASP1 P29466 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 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
SCHEMBL4426684 0.81 MAPK1 (0.61) MAPK1HSD17B10L3MBTL1MYBALDH1A1
SCHEMBL4426708 0.78 ALDH1A1 (0.57) MAPK1HSD17B10L3MBTL1MYBALDH1A1
SCHEMBL8538963 0.78 MYB (0.80) L3MBTL1MYBKDM4EMAPTRAB9A
SCHEMBL31237961 0.78 MYB (0.80) L3MBTL1MYBKDM4EMAPTRAB9A
SCHEMBL4333621 0.78 TUBB4A (0.64) MYBSMN1; SMN2RAB9A
SCHEMBL4425533 0.77 MAPK1 (0.57) MAPK1HSD17B10L3MBTL1MYBALDH1A1
SCHEMBL4320562 0.77 MAPK1 (0.65) MAPK1HSD17B10L3MBTL1ALDH1A1MEN1
SCHEMBL31237204 0.77 MAPK1 (0.65) MAPK1HSD17B10L3MBTL1ALDH1A1MEN1
SCHEMBL4426920 0.76 TUBB4A (0.66) MAPK1HSD17B10L3MBTL1MYBALDH1A1
SCHEMBL4426296 0.76 TUBB4A (0.66) MAPK1HSD17B10L3MBTL1MYBALDH1A1

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-1392683-B1 SUBSTITUTED 4H-CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THEIR USE AS ANTICANCER AGENTS CYTOVIA INC (US) 2009-12-02 EP disclosed