SCHEMBL2201567

SCHEMBL2201567

Nc1nc(Cl)nc(Nc2ccc(C=Cc3ccc(Nc4nc(N)nc(Cl)n4)cc3)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.49
▸ MAPT P10636 5/20 0.49
▸ NFKB1 P19838 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ CA12 O43570 3/20 0.47
▸ CA1 P00915 3/20 0.47
▸ CA2 P00918 3/20 0.47
▸ CA9 Q16790 3/20 0.47
▸ CA14 Q9ULX7 1/20 0.47
▸ TXN P10599 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.45
▸ SLC6A2 P23975 1/20 0.45
▸ PDE4A P27815 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ NPC1 O15118 4/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ JAK2 O60674 2/20 0.44

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
SCHEMBL7094879 0.88 CA12 (0.56) MAPTKMT2AMAPK1CA12CA1
SCHEMBL24320887 0.88 CA12 (0.56) MAPTKMT2AMAPK1CA12CA1
SCHEMBL4581951 0.81 NFKB1 (0.70) MAPTNFKB1KMT2AMEN1MAPK1
SCHEMBL4581953 0.81 NFKB1 (0.70) MAPTNFKB1KMT2AMEN1MAPK1
SCHEMBL5471897 0.78 NPC1 (0.50) PTGS2MAPTNFKB1KMT2AMEN1
SCHEMBL30407885 0.78 PTGS2 (0.47) PTGS2MAPTNFKB1KMT2AMEN1
SCHEMBL25148094 0.78 PTGS2 (0.47) PTGS2MAPTNFKB1KMT2AMEN1
SCHEMBL25147636 0.76 CA9 (0.82) CA12CA1CA2CA9CA14
SCHEMBL30408661 0.76 CA9 (0.82) CA12CA1CA2CA9CA14
SCHEMBL10910614 0.75 CA12 (0.68) MAPTKMT2AMEN1MAPK1CA12

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-2345541-B1 Thermosensitive recording material and image recording method RICOH CO LTD (JP) 2012-08-29 — — EP disclosed
EP-2345541-A2 Thermosensitive recording material and image recording method Ricoh Company, Ltd. (JP) 2011-07-20 — — EP disclosed
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