SCHEMBL27477358

SCHEMBL27477358

CCCCc1c(C)nc(CC)nc1O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
HTT P42858 2/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.37
TLR8 Q9NR97 4/20 0.37
TLR7 Q9NYK1 4/20 0.37
POLB P06746 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KDM4E B2RXH2 2/20 0.33
THRB P10828 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP2C19 P33261 1/20 0.33
ATM Q13315 1/20 0.33
APLNR P35414 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL9843881 0.87 MAPT (0.37) MAPTHTTNPC1HPGDMAPK1
SCHEMBL9843662 0.87 MAPT (0.37) MAPTHTTNPC1HPGDMAPK1
SCHEMBL28619888 0.79 POLB (0.45) HTTHPGDNPSR1LMNAPOLB
SCHEMBL2229077 0.78 LMNA (0.45) MAPTHTTHPGDLMNAPOLB
SCHEMBL27742843 0.77 TLR8 (0.44) TLR8TLR7
SCHEMBL6414929 0.77 TLR8 (0.56) TLR8TLR7
SCHEMBL2227651 0.76 LMNA (0.39) MAPTHTTLMNATLR8TLR7
SCHEMBL11350908 0.76 MAPT (0.34) MAPTHTTLMNATLR8TLR7
Ethane SCHEMBL5806524 0.76 MAPT (0.37) MAPTHTTNPC1HPGDMAPK1
SCHEMBL7825993 0.75 L3MBTL1 (0.47) MAPTHPGDMAPK1POLBRXFP1

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
CN-1173628-C Pesticide compositions ������������� 2004-11-03 CN disclosed
CN-1195472-A Pesticide compositions ROHM & HAAS (US) 1998-10-14 CN disclosed