SCHEMBL13329947

SCHEMBL13329947

CCCCCCCCNc1nc(C)cc(NCc2ccccc2)n1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 9/20 0.83
SMN1; SMN2 Q16637 6/20 0.83
HTT P42858 5/20 0.83
ALDH1A1 P00352 2/20 0.83
TSHR P16473 2/20 0.83
MAPK1 P28482 2/20 0.83
TP53 P04637 1/20 0.83
DNM2 P50570 7/20 0.62
MAPT P10636 8/20 0.60
KDM4E B2RXH2 4/20 0.60
GPR55 Q9Y2T6 1/20 0.60
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
POLB P06746 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
GLA P06280 1/20 0.58
GAA P10253 1/20 0.58
HPGD P15428 1/20 0.58
NPSR1 Q6W5P4 3/20 0.56
USP2 O75604 1/20 0.56

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
SCHEMBL23094149 0.91 LMNA (1.00) LMNASMN1; SMN2HTTALDH1A1TSHR
SCHEMBL13329877 0.86 LMNA (0.77) LMNASMN1; SMN2HTTALDH1A1TSHR
SCHEMBL13329940 0.85 ESR1 (0.64) LMNASMN1; SMN2HTTALDH1A1TSHR
SCHEMBL13329946 0.85 DNM2 (0.81) LMNASMN1; SMN2HTTALDH1A1TSHR
SCHEMBL13329945 0.85 DNM2 (0.81) LMNASMN1; SMN2HTTALDH1A1TSHR
SCHEMBL13329988 0.84 LMNA (0.59) LMNASMN1; SMN2HTTALDH1A1TSHR
SCHEMBL1194281 0.83 DNM2 (0.78) LMNASMN1; SMN2HTTALDH1A1TSHR
SCHEMBL13329951 0.82 DNM2 (0.77) LMNASMN1; SMN2HTTALDH1A1TSHR
SCHEMBL13329900 0.81 KCNH3 (0.66) LMNASMN1; SMN2HTTALDH1A1TSHR
SCHEMBL13329899 0.81 KCNH3 (0.66) LMNASMN1; SMN2HTTALDH1A1TSHR

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