SCHEMBL10697030

SCHEMBL10697030

CCCCCc1c(C(C)(C)C)n[nH]c1N

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
HCAR2 Q8TDS4 2/20 0.34
HCAR3 P49019 1/20 0.34
TYMP P19971 3/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
GAA P10253 2/20 0.33
TSHR P16473 2/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 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
SCHEMBL11666641 0.85 MAPT (0.34) MAPTHCAR2HCAR3TYMPTLR8
SCHEMBL4981698 0.80 GAA (0.30) GAA
SCHEMBL2733972 0.78 TLR8 (0.40) MAPTTYMPTLR8TLR7GAA
SCHEMBL17500332 0.77 MAPT (0.41) MAPTHCAR2HCAR3TYMPTLR8
SCHEMBL8636988 0.72 GAA (0.33) MAPTTYMPTLR8TLR7GAA
SCHEMBL6683717 0.71 MAPT (0.47) MAPTTYMPTLR8TLR7GAA
SCHEMBL8639882 0.69 GAA (0.36) MAPTGAATSHRLMNAMAPK1
SCHEMBL3643513 0.69 BRD4 (0.36) GAA
SCHEMBL3664202 0.67 GAA (0.42) MAPTHCAR2HCAR3GAATSHR
SCHEMBL13516628 0.66 MAPK1 (0.37) MAPTGAATSHRLMNAMAPK1

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-0257479-A1 Substituted 1-aryl-3-tert.-butyl pyrazoles BAYER AG (DE) 1988-03-02 EP disclosed