SCHEMBL9843881

SCHEMBL9843881

CCCCc1nc(C)c(CCC)c(O)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
TLR8 Q9NR97 3/20 0.36
TLR7 Q9NYK1 3/20 0.36
POLB P06746 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
KDM4E B2RXH2 2/20 0.33
THRB P10828 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.32
ATM Q13315 1/20 0.32
APLNR P35414 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
SCHEMBL9843662 0.89 MAPT (0.37) MAPTLMNAHTTNPSR1NPC1
SCHEMBL27477358 0.87 MAPT (0.38) MAPTLMNAHTTNPSR1NPC1
SCHEMBL28619888 0.84 POLB (0.45) LMNAHTTNPSR1HPGDPOLB
SCHEMBL2229077 0.83 LMNA (0.45) MAPTLMNAHTTHPGDPOLB
SCHEMBL2227651 0.81 LMNA (0.39) MAPTLMNAHTTTLR8TLR7
SCHEMBL9843680 0.81 NPC1 (0.34) MAPTLMNAHTTNPSR1NPC1
SCHEMBL28628793 0.78 TSHR (0.53) LMNATLR7KDM4ETSHR
SCHEMBL29703417 0.78 TSHR (0.53) LMNATLR7KDM4ETSHR
SCHEMBL6414929 0.76 TLR8 (0.56) TLR8TLR7
Ethirimol SCHEMBL20692 0.75 TLR8 (0.41) MAPTLMNAHTTNPSR1NPC1

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-0407342-A2 Pyrimidine derivatives CIBA-GEIGY AG (CH) 1991-01-09 EP disclosed