SCHEMBL6637510

SCHEMBL6637510

COc1cc(OC)cc(C2C(C#N)=C(N)Oc3c2ccc2c3=CC(=O)N=2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYB P10242 9/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
MAPK1 P28482 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CASP1 P29466 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41
TUBA1B P68363 2/20 0.41

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
SCHEMBL6638623 0.88 MYB (0.60) MYBPOLBRAB9AHSD17B10SMN1; SMN2
SCHEMBL6640779 0.84 TUBB4A (0.61) MYBRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL6641362 0.83 HSD17B10 (0.64) MYBPOLBRAB9AMAPK1HSD17B10
SCHEMBL6637807 0.82 MYB (0.44) MYBPOLBRAB9AMAPK1HSD17B10
SCHEMBL6640084 0.82 MYB (0.47) MYBPOLBRAB9ATSHRSMN1; SMN2
SCHEMBL6639889 0.78 MYB (0.63) MYBPOLBMAPK1HSD17B10TSHR
SCHEMBL4326091 0.72 ALDH1A1 (0.64) MYBPOLBRAB9AMAPK1HSD17B10
SCHEMBL4319317 0.72 TUBB4A (0.71) MYBTSHRTUBB4ATUBBTUBA3C
SCHEMBL4426407 0.72 TUBB4A (0.71) MYBPOLBRAB9ATSHRTUBB4A
SCHEMBL4343035 0.71 MYB (0.53) MYBMAPK1HSD17B10TUBB4ATUBB

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-1230232-B1 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2004-02-25 EP claimed