SCHEMBL13329960

SCHEMBL13329960

CCCCCCCCNc1nc(-c2ccccc2)cc(N(CC)CCO)n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRIM58 Q8NG06 1/20 0.48
TP53 P04637 1/20 0.44
DNM2 P50570 1/20 0.44
KCNH3 Q9ULD8 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
STAT1 P42224 1/20 0.43
RAB9A P51151 1/20 0.43
SOAT1 P35610 4/20 0.42
SOAT2 O75908 2/20 0.42
TLR8 Q9NR97 1/20 0.42
ADORA1 P30542 1/20 0.42
SLC29A1 Q99808 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 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
SCHEMBL13329944 0.82 DNM2 (0.47) TRIM58DNM2KCNH3SLC29A1KMT2A
SCHEMBL13329954 0.82 DNM2 (0.66) TRIM58TP53DNM2ALDH1A1SLC29A1
SCHEMBL13329992 0.79 DNM2 (0.46) TRIM58DNM2KCNH3SLC29A1KMT2A
SCHEMBL13329958 0.78 TP53 (0.69) TRIM58TP53DNM2KCNH3ALDH1A1
SCHEMBL13329956 0.76 TLR8 (0.65) TP53DNM2KCNH3ALDH1A1NPC1
SCHEMBL13329955 0.76 TLR8 (0.65) TP53DNM2KCNH3ALDH1A1NPC1
SCHEMBL27873804 0.75 TLR8 (0.62) TP53KCNH3ALDH1A1NPC1MAPT
SCHEMBL13329978 0.73 TLR8 (0.52) TRIM58TP53DNM2KCNH3ALDH1A1
SCHEMBL1733560 0.73 KDM4E (0.53) TRIM58KCNH3ALDH1A1NPC1MAPT
SCHEMBL13329973 0.70 TLR8 (0.57) TP53DNM2KCNH3ALDH1A1MAPT

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