SCHEMBL13309844

SCHEMBL13309844

CCCCCCCCCCNc1cc(C)nc(C)n1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.61
DNM2 P50570 9/20 0.61
ALDH1A1 P00352 2/20 0.51
TP53 P04637 2/20 0.51
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 1/20 0.42
SOAT1 P35610 2/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41

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
SCHEMBL13309799 1.00 TLR8 (0.61) TLR8DNM2ALDH1A1TP53LMNA
SCHEMBL13309816 1.00 TLR8 (0.61) TLR8DNM2ALDH1A1TP53LMNA
SCHEMBL13309832 1.00 TLR8 (0.61) TLR8DNM2ALDH1A1TP53LMNA
SCHEMBL13309860 1.00 TLR8 (0.61) TLR8DNM2ALDH1A1TP53LMNA
SCHEMBL13329945 0.85 DNM2 (0.81) TLR8DNM2ALDH1A1TP53LMNA
SCHEMBL13329946 0.85 DNM2 (0.81) TLR8DNM2ALDH1A1TP53LMNA
SCHEMBL5791298 0.83 TLR8 (0.88) TLR8DNM2ALDH1A1TP53LMNA
SCHEMBL8543215 0.83 DNM2 (0.57) TLR8DNM2ALDH1A1TP53LMNA
SCHEMBL1194281 0.83 DNM2 (0.78) TLR8DNM2ALDH1A1TP53LMNA
SCHEMBL13329951 0.82 DNM2 (0.77) TLR8DNM2ALDH1A1TP53LMNA

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
US-7731985-B2 4-aminopyrimidines and their use for the antimicrobial treatment of surfaces CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-06-08 US disclosed
US-7731985-B2 4-aminopyrimidines and their use for the antimicrobial treatment of surfaces CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-06-08 US disclosed