SCHEMBL1345487

SCHEMBL1345487

COCCNCCCNC(=N)N

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DDAH1 O94760 1/20 0.38
ALDH1A1 P00352 6/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.36
ALOX15 P16050 1/20 0.36
KDM4E B2RXH2 7/20 0.35
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
KDM1A O60341 1/20 0.33
SAT1 P21673 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL1427269 0.84
SCHEMBL395191 0.83
SCHEMBL5497332 0.83 MEN1 (0.50) MEN1KMT2ACYP1A2SMN1; SMN2TSHR
SCHEMBL6936352 0.82 SMN1; SMN2 (0.47) MEN1KMT2ACYP1A2SMN1; SMN2DDAH1
Hydrochloric Acid SCHEMBL395610 0.81
SCHEMBL4094772 0.81 CYP1A2 (0.54) MEN1KMT2ACYP1A2SMN1; SMN2TSHR
Bromide SCHEMBL31185235 0.81 MEN1 (0.48) MEN1KMT2ACYP1A2SMN1; SMN2TSHR
SCHEMBL6935672 0.80 MEN1 (0.50) MEN1KMT2ACYP1A2SMN1; SMN2DDAH1
SCHEMBL8327575 0.78 KDM4E (0.46) MEN1KMT2ACYP1A2ALDH1A1TSHR
SCHEMBL19561122 0.78 PAOX (0.50) MEN1KMT2ACYP1A2SMN1; SMN2ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063104-B2 Guanidine derivatives as inhibitors of DDAH UCL BUSINESS PLC (GB) 2011-11-22 US disclosed