SCHEMBL13329883

SCHEMBL13329883

CCCCCCCCCCCCCc1nc(C)cc(NCCCCCCCCCCCC)n1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNM2 P50570 11/20 0.57
TLR8 Q9NR97 2/20 0.56
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
SOAT1 P35610 2/20 0.39

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
SCHEMBL13329881 1.00 DNM2 (0.57) DNM2TLR8ALDH1A1LMNATP53
SCHEMBL13309832 0.82 TLR8 (0.61) DNM2TLR8ALDH1A1LMNATP53
SCHEMBL13309860 0.82 TLR8 (0.61) DNM2TLR8ALDH1A1LMNATP53
SCHEMBL13309799 0.82 TLR8 (0.61) DNM2TLR8ALDH1A1LMNATP53
SCHEMBL13309816 0.82 TLR8 (0.61) DNM2TLR8ALDH1A1LMNATP53
SCHEMBL13309844 0.82 TLR8 (0.61) DNM2TLR8ALDH1A1LMNATP53
SCHEMBL19977330 0.81 KCNH2 (0.45) DNM2ALDH1A1HTT
SCHEMBL13329946 0.81 DNM2 (0.81) DNM2TLR8ALDH1A1LMNATP53
SCHEMBL13329945 0.81 DNM2 (0.81) DNM2TLR8ALDH1A1LMNATP53
SCHEMBL5791298 0.79 TLR8 (0.88) DNM2TLR8ALDH1A1LMNATP53

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