SCHEMBL13329946

SCHEMBL13329946

CCCCCCCCCCCCNc1cc(C)nc(NCCCCCCCC)n1

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM2 P50570 12/20 0.81
ALDH1A1 P00352 2/20 0.65
MAPK1 P28482 2/20 0.65
LMNA P02545 1/20 0.65
TP53 P04637 1/20 0.65
TSHR P16473 1/20 0.65
HTT P42858 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
TLR8 Q9NR97 1/20 0.59
ESR1 P03372 1/20 0.54
ESR2 Q92731 1/20 0.54
KMT2A Q03164 2/20 0.46
KCNH3 Q9ULD8 1/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL13329945 1.00 DNM2 (0.81) DNM2ALDH1A1MAPK1LMNATP53
SCHEMBL1194281 0.98 DNM2 (0.78) DNM2ALDH1A1MAPK1LMNATP53
SCHEMBL13329951 0.97 DNM2 (0.77) DNM2ALDH1A1MAPK1LMNATP53
SCHEMBL16608857 0.93 ALDH1A1 (0.73) DNM2ALDH1A1MAPK1LMNATP53
SCHEMBL25474229 0.90 DNM2 (1.00) DNM2ALDH1A1MAPK1LMNATP53
SCHEMBL16608745 0.86 DNM2 (0.61) DNM2ALDH1A1MAPK1LMNATP53
SCHEMBL13329947 0.85 LMNA (0.83) DNM2ALDH1A1MAPK1LMNATP53
SCHEMBL13309816 0.85 TLR8 (0.61) DNM2ALDH1A1MAPK1LMNATP53
SCHEMBL13309799 0.85 TLR8 (0.61) DNM2ALDH1A1MAPK1LMNATP53
SCHEMBL13309860 0.85 TLR8 (0.61) DNM2ALDH1A1MAPK1LMNATP53

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-7722893-B2 Use of substitute 2,4-bis (alkylamino) pyrimidines or quinzolines as antimicrobials CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-05-25 US disclosed
US-7722893-B2 Use of substitute 2,4-bis (alkylamino) pyrimidines or quinzolines as antimicrobials CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-05-25 US disclosed