SCHEMBL13329944

SCHEMBL13329944

CCCCCCCCNc1nc(CCC)cc(N(CC)CCO)n1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DNM2 P50570 11/20 0.47
SLC29A1 Q99808 3/20 0.44
KMT2A Q03164 1/20 0.44
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
HTT P42858 1/20 0.38
TRIM58 Q8NG06 1/20 0.37
KCNH3 Q9ULD8 1/20 0.36

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
SCHEMBL13329942 0.86 DNM2 (0.52) DNM2SLC29A1KMT2AESR1ESR2
SCHEMBL13329954 0.85 DNM2 (0.66) DNM2SLC29A1KMT2AHTTTRIM58
SCHEMBL13329992 0.82 DNM2 (0.46) DNM2SLC29A1KMT2AHTTTRIM58
SCHEMBL13329960 0.82 TRIM58 (0.48) DNM2SLC29A1KMT2ATRIM58KCNH3
SCHEMBL13329941 0.76 ESR1 (0.59) DNM2KMT2AESR1ESR2HTT
SCHEMBL13329938 0.74 ESR1 (0.72) DNM2KMT2AESR1ESR2HTT
SCHEMBL13329934 0.74 ESR1 (0.72) DNM2KMT2AESR1ESR2HTT
SCHEMBL17817154 0.74 SLC29A1 (0.67) DNM2SLC29A1KMT2AKCNH3
SCHEMBL13329943 0.71 ESR1 (0.78) DNM2KMT2AESR1ESR2HTT
SCHEMBL13329949 0.70 DNM2 (0.74) DNM2KMT2AHTTTRIM58KCNH3

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