SCHEMBL18537211

SCHEMBL18537211

C=Cc1nc2ccccc2cc1/C=C\CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 9/20 0.50
ALDH1A1 P00352 7/20 0.41
GAA P10253 4/20 0.41
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 3/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 1/20 0.37
ACHE P22303 1/20 0.37
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
STAT3 P40763 1/20 0.33

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
SCHEMBL12646554 0.83 ALDH1A1 (0.41) TLR8ALDH1A1GAAKDM4EMEN1
SCHEMBL8594953 0.80 ALDH1A1 (0.48) TLR8ALDH1A1GAAKDM4EKMT2A
SCHEMBL23048973 0.75 ALDH1A1 (0.40) TLR8ALDH1A1GAAKDM4EMEN1
SCHEMBL12948126 0.73 ALDH1A1 (0.41) TLR8ALDH1A1GAAKDM4EMEN1
SCHEMBL982307 0.69 ALDH1A1 (0.41) TLR8ALDH1A1
SCHEMBL982304 0.69 ALDH1A1 (0.41) TLR8ALDH1A1
SCHEMBL2630610 0.69 TLR8 (0.46) TLR8ALDH1A1GAAKDM4EMEN1
SCHEMBL10337580 0.69 ERN1 (0.38) TLR8MEN1KMT2A
SCHEMBL27529586 0.68 ALDH1A1 (0.46) TLR8ALDH1A1GAAKDM4EKMT2A
SCHEMBL2894808 0.68 ALDH1A1 (0.53) TLR8ALDH1A1GAAKDM4EMEN1

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-3133445-A1 CHEMICALLY AMPLIFIED RESIST MATERIAL OSAKA UNIVERSITY (JP) 2017-02-22 EP disclosed