SCHEMBL16013208

SCHEMBL16013208

[N-]=[N+]=NCCCC(N=[N+]=[N-])C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DDAH1 O94760 1/20 0.31
▸ NOS1 P29475 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ NOS2 P35228 1/20 0.31

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
SCHEMBL28861616 0.86 SGPL1 (0.34) NOS2
SCHEMBL15045488 0.83 CA2 (0.47) DDAH1
SCHEMBL19555534 0.79 CA1 (0.36) TSHRNFKB1
SCHEMBL25317082 0.76 CA2 (0.58) DDAH1NOS1CYP2C19NOS2
SCHEMBL18088373 0.76 TSHR (0.48) CYP1A2TSHRNFKB1CYP2C19
SCHEMBL28601410 0.74 — —
SCHEMBL28950362 0.73 KDM4E (0.47) —
SCHEMBL24295447 0.73 CTSL (0.34) DDAH1NOS1
SCHEMBL15888955 0.72 NOS2 (0.43) DDAH1NOS1CYP1A2GLATSHR
SCHEMBL17074958 0.70 ZDHHC20 (0.49) DDAH1TSHR

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
EP-2964224-A1 POLYMER CONJUGATE FOR DELIVERY OF A BIOACTIVE AGENT Polyactiva Pty Ltd (AU) 2016-01-13 — — EP disclosed
WO-2014134689-A1 POLYMER CONJUGATE FOR DELIVERY OF A BIOACTIVE AGENT POLYACTIVA PTY LTD (AU) 2014-09-12 — — WO disclosed
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