SCHEMBL13671097

SCHEMBL13671097

[N-]=[N+]=NCCOCCOCCOCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 3/20 0.58
▸ TSHR P16473 1/20 0.48
▸ ABCG2 Q9UNQ0 8/20 0.47
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MGMT P16455 1/20 0.38
▸ LTA4H P09960 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 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
SCHEMBL13654238 1.00 NAAA (0.58) NAAATSHRABCG2CYP1A2CYP2D6
SCHEMBL16437095 1.00 NAAA (0.58) NAAATSHRABCG2CYP1A2CYP2D6
SCHEMBL13671096 1.00 NAAA (0.58) NAAATSHRABCG2CYP1A2CYP2D6
SCHEMBL13671102 1.00 NAAA (0.58) NAAATSHRABCG2CYP1A2CYP2D6
SCHEMBL17414391 0.96 NAAA (0.53) NAAATSHRABCG2CYP1A2CYP2D6
SCHEMBL17162030 0.95 NAAA (0.54) NAAATSHRABCG2CYP1A2CYP2D6
SCHEMBL21070168 0.87 NAAA (0.49) NAAATSHRABCG2TDP1L3MBTL1
SCHEMBL30458266 0.86 NAAA (0.42) NAAAABCG2MGMT
SCHEMBL14448284 0.84 ABCG2 (0.47) NAAATSHRABCG2
SCHEMBL16682544 0.84 NAAA (0.41) NAAAABCG2MGMT

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-7598421-B2 Materials for the delivery of biologically-active material to cells UCL BIOMEDICA PLC (GB) 2009-10-06 — — US disclosed
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