SCHEMBL2203384

SCHEMBL2203384

COc1nc(Nc2ccccc2)nc(Nc2ccc(C=Cc3ccc(Nc4nc(OC)nc(OC)n4)cc3)cc2)n1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAPT P10636 4/20 0.52
NPSR1 Q6W5P4 2/20 0.52
HTT P42858 1/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
KCNH3 Q9ULD8 5/20 0.49
LMNA P02545 2/20 0.49
MAPK1 P28482 2/20 0.49
RAB9A P51151 1/20 0.48
GAA P10253 1/20 0.48
PDE4B Q07343 1/20 0.46
PDE4D Q08499 1/20 0.46
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL11592018 0.92 SMN1; SMN2 (0.63) ALDH1A1SMN1; SMN2MAPTNPSR1HTT
SCHEMBL14354708 0.87 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPTNPSR1HTT
SCHEMBL28412986 0.85 MAPT (0.59) ALDH1A1MAPTNPSR1HTTCA1
SCHEMBL29886003 0.84 MAPT (0.57) ALDH1A1MAPTNPSR1HTTCA1
SCHEMBL11400721 0.80 CA1 (0.42) ALDH1A1SMN1; SMN2MAPTNPSR1HTT
SCHEMBL12732158 0.79 CA1 (0.60) ALDH1A1SMN1; SMN2NPSR1HTTCA1
SCHEMBL14269475 0.79 KDR (0.39) ALDH1A1SMN1; SMN2MAPTNPSR1HTT
SCHEMBL12732185 0.78 PDE4B (0.58) ALDH1A1SMN1; SMN2MAPTNPSR1CA1
SCHEMBL4317620 0.76 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MAPTNPSR1HTT
SCHEMBL8330270 0.76 MAPT (0.68) ALDH1A1SMN1; SMN2MAPTNPSR1HTT

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