SCHEMBL9617800

SCHEMBL9617800

O=[N+]([O-])c1n[c]nc([N+](=O)[O-])n1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.33
ALPL P05186 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
APEX1 P27695 1/20 0.33
APOBEC3A P31941 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33

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
SCHEMBL2042482 0.78 POLB (0.39) MITFALPLPOLBMAPTAPEX1
SCHEMBL27452342 0.76 POLB (0.38) MITFALPLPOLBMAPTAPEX1
SCHEMBL1426637 0.67 ALDH1A1 (0.37) MITFALPLPOLBMAPTAPEX1
SCHEMBL16691686 0.67 POLB (0.38) MITFALPLPOLBMAPTAPEX1
SCHEMBL7694321 0.67 LMNA (0.35) MITFALPLPOLBMAPTAPEX1
SCHEMBL1193558 0.67 MAPT (0.33) MITFALPLPOLBMAPTAPEX1
SCHEMBL18235908 0.61 POLB (0.38) MITFALPLPOLBMAPTAPEX1
SCHEMBL9629226 0.59 KDM4E (0.36) POLBMAPT
SCHEMBL35451 0.55 KMT2A (0.34)
SCHEMBL7777206 0.52 MEN1 (0.33)

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
JP-4268379-A None JP disclosed
JP-H04268379-A REACTIVE DYE, PRODUCTION THEREOF AND DYEING OF MATERIAL IMPERIAL CHEM IND PLC <ICI> 1992-09-24 JP disclosed