SCHEMBL8275182

SCHEMBL8275182

NCCNc1ccc(N=Nc2ccc(S(=O)(=O)c3ccc(N=Nc4ccc(NCCN)c5ccccc45)cc3)cc2)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 3/20 0.46
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA3 P07451 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA6 P23280 1/20 0.41
▸ CA5A P35218 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 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
SCHEMBL30133461 0.91 MEN1 (0.48) IDO1MEN1KMT2AMAPTMAPK1
SCHEMBL8439504 0.91 MEN1 (0.48) IDO1MEN1KMT2AMAPTMAPK1
SCHEMBL21580219 0.91 MEN1 (0.48) IDO1MEN1KMT2AMAPTMAPK1
SCHEMBL16558099 0.88 IDO1 (0.46) IDO1MEN1KMT2AMAPTMAPK1
SCHEMBL8441204 0.85 IDO1 (0.54) IDO1MEN1KMT2AMAPTMAPK1
SCHEMBL8441211 0.85 IDO1 (0.54) IDO1MEN1KMT2AMAPTMAPK1
SCHEMBL8439697 0.83 IDO1 (0.49) IDO1MEN1KMT2AMAPTMAPK1
SCHEMBL16247434 0.81 IDO1 (0.47) IDO1MEN1KMT2AMAPTMAPK1
SCHEMBL8441133 0.76 IDO1 (0.45) IDO1MEN1KMT2AMAPTMAPK1
SCHEMBL12378825 0.76 IDO1 (0.42) IDO1MEN1KMT2AMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703101-B2 Methods of determining NOx in a wound sample 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-04-22 — — US disclosed
US-8703101-B2 Methods of determining NOx in a wound sample 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-04-22 — — US disclosed
US-20120135444-A1 SAMPLING DEVICES AND METHODS OF USE 3M INNOVATIVE PROPERTIES COMPANY 2012-05-31 — — US disclosed
US-20120135444-A1 SAMPLING DEVICES AND METHODS OF USE 3M INNOVATIVE PROPERTIES COMPANY 2012-05-31 — — US disclosed
US-20120129266-A1 METHOD OF DETECTING OXIDES OF NITROGEN 3M INNOVATIVE PROPERTIES COMPANY 2012-05-24 — — US disclosed
US-20120129266-A1 METHOD OF DETECTING OXIDES OF NITROGEN 3M INNOVATIVE PROPERTIES COMPANY 2012-05-24 — — US disclosed
WO-2011017325-A1 SAMPLING DEVICES AND METHODS OF USE 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-02-10 — — WO disclosed
WO-2011017317-A1 METHOD OF DETECTING OXIDES OF NITROGEN 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-02-10 — — WO disclosed
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