SCHEMBL4240549

SCHEMBL4240549

CC(C)Cc1nc2c[c]ccc2s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
UBE2T Q9NPD8 1/20 0.34
ASIC3 Q9UHC3 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 2/20 0.33
LOXL2 Q9Y4K0 2/20 0.33
MAPK1 P28482 2/20 0.33
GAA P10253 2/20 0.33
USP2 O75604 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
LMNA P02545 2/20 0.31
TDP1 Q9NUW8 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
SCHEMBL4236785 0.87 TLR8 (0.37) TLR8TLR7UBE2TASIC3NPC1
SCHEMBL6967203 0.81 NPC1 (0.53) TLR8TLR7UBE2TASIC3NPC1
SCHEMBL6705401 0.79 GAA (0.38) TLR8TLR7UBE2TASIC3NPC1
SCHEMBL1451349 0.78 HDAC6 (0.44) UBE2TASIC3KDM4EGAAHSD17B10
SCHEMBL2835433 0.78 UBE2T (0.58) UBE2TASIC3NPC1RAB9AKDM4E
SCHEMBL2662248 0.76 UBE2T (0.59) TLR8TLR7UBE2TASIC3NPC1
SCHEMBL2096363 0.74 DRD2 (0.40) TLR8TLR7NPC1RAB9AMAPK1
SCHEMBL19067624 0.73 MAPT (0.46) TLR8TLR7NPC1RAB9AKDM4E
SCHEMBL24947150 0.72 OGA (0.38) TLR8TLR7UBE2TASIC3NPC1
SCHEMBL693161 0.72 SMN1; SMN2 (0.47) NPC1RAB9AKDM4EHPGDGAA

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
WO-2009036428-A2 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2009-03-19 WO disclosed