SCHEMBL7587330

SCHEMBL7587330

COc1ccc2c(c1)N(C)c1ccc(-c3c(F)ccc(F)c3F)c(OC)c1C2C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
POLB P06746 2/20 0.31
NPC1 O15118 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FFAR1 O14842 1/20 0.31
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAG3 Q9UGI9 1/20 0.31
PRKAG2 Q9UGJ0 1/20 0.31
PRKAB1 Q9Y478 1/20 0.31
GRK6 P43250 1/20 0.31
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30

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
Acridan SCHEMBL7594988 0.89 HDAC3 (0.32) FFAR1TSHR
SCHEMBL7787061 0.78 MAPT (0.37) HTTSMN1; SMN2FFAR1MAPTTSHR
SCHEMBL7797026 0.78 HDAC4 (0.38) NPC1RAB9ASMN1; SMN2GRK6MAPT
SCHEMBL7592240 0.74 MAPT (0.41) SLC6A2SLC6A4SLC6A3POLBAKR1C3
SCHEMBL8877458 0.74 KDM4E (0.35) HTTSMN1; SMN2MAPTTSHR
SCHEMBL7591680 0.73 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3POLBNPC1
SCHEMBL7797048 0.71 HDAC4 (0.39) HTTMAPT
SCHEMBL7787075 0.71 MAPT (0.39) BRD4SMN1; SMN2MAPTTSHR
SCHEMBL7592395 0.71 TAS1R3 (0.34) SLC6A2SLC6A4SLC6A3POLBNPC1
Acridan SCHEMBL6586926 0.70 ALDH1A1 (0.32) BRD4SMN1; SMN2MAPTTSHR

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