SCHEMBL13309850

SCHEMBL13309850

CCCCCCCCCCNc1cc(C)nc(C(C)C)n1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM2 P50570 11/20 0.56
TLR8 Q9NR97 1/20 0.55
ALDH1A1 P00352 3/20 0.47
TP53 P04637 2/20 0.47
TSHR P16473 2/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP3A4 P08684 1/20 0.40
ACHE P22303 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SOAT1 P35610 2/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37

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
SCHEMBL13309802 1.00 DNM2 (0.56) DNM2TLR8ALDH1A1TP53TSHR
SCHEMBL3428347 1.00 DNM2 (0.56) DNM2TLR8ALDH1A1TP53TSHR
SCHEMBL13309868 1.00 DNM2 (0.56) DNM2TLR8ALDH1A1TP53TSHR
SCHEMBL13309819 1.00 DNM2 (0.56) DNM2TLR8ALDH1A1TP53TSHR
SCHEMBL13309832 0.81 TLR8 (0.61) DNM2TLR8ALDH1A1TP53TSHR
SCHEMBL13309844 0.81 TLR8 (0.61) DNM2TLR8ALDH1A1TP53TSHR
SCHEMBL13309816 0.81 TLR8 (0.61) DNM2TLR8ALDH1A1TP53TSHR
SCHEMBL13309799 0.81 TLR8 (0.61) DNM2TLR8ALDH1A1TP53TSHR
SCHEMBL13309860 0.81 TLR8 (0.61) DNM2TLR8ALDH1A1TP53TSHR
SCHEMBL13329946 0.80 DNM2 (0.81) DNM2TLR8ALDH1A1TP53TSHR

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