SCHEMBL7595359

SCHEMBL7595359

COc1ccc2c(C(=O)Oc3c(F)ccc(F)c3F)c3c(OC)cccc3[n+](C)c2c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 2/20 0.32
TSHR P16473 2/20 0.32
GFER P55789 1/20 0.31
SLC2A1 P11166 1/20 0.31
SLC2A4 P14672 1/20 0.31
DYRK3 O43781 1/20 0.31
DYRK1A Q13627 1/20 0.31
DYRK2 Q92630 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL6588162 0.87 ACHE (0.39) RAB9ANPC1POLBHTTSMN1; SMN2
Trifluoromethanesulfonic Acid SCHEMBL7793794 0.79 KCNH2 (0.35) RAB9ANPC1POLBHTTSMN1; SMN2
SCHEMBL7590460 0.79 DYRK1A (0.41) KMT2ARAB9ANPC1POLBHTT
SCHEMBL7591260 0.79 MAPT (0.40) KMT2APOLBHTTMAPTKDM4E
Trifluoromethanesulfonic Acid SCHEMBL7796548 0.74 KCNH2 (0.35) RAB9ANPC1POLBHTTSMN1; SMN2
Trifluoromethanesulfonic Acid SCHEMBL7795306 0.73 KCNH2 (0.38) KMT2ARAB9AMAPTKDM4E
Trifluoromethanesulfonic Acid SCHEMBL7793210 0.71 ACHE (0.37)
SCHEMBL8333267 0.71 RAB9A (0.41) KMT2ARAB9ANPC1POLBMAPT
SCHEMBL6584034 0.69 GRM2 (0.45) KMT2ARAB9ANPC1POLBSMN1; SMN2
SCHEMBL7793772 0.69 DHODH (0.45) KMT2APOLBKDM4EMEN1

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-0778946-B1 NOVEL METHOD AND KITS FOR PRODUCING LIGHT FROM AN ACRIDAN COMPOUND LUMIGEN INC (US) 2002-10-23 EP claimed