SCHEMBL9749634

SCHEMBL9749634

NCCNCCN.NCCNCCN.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Co+3]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.59
CA6 P23280 5/20 0.59
CA7 P43166 5/20 0.59
CA9 Q16790 5/20 0.59
CA14 Q9ULX7 5/20 0.59
CA5B Q9Y2D0 5/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
RECQL P46063 2/20 0.59
CA2 P00918 4/20 0.56
CA4 P22748 4/20 0.56
CA5A P35218 4/20 0.56
ALOX15 P16050 4/20 0.56
LMNA P02545 3/20 0.56
CA3 P07451 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
CA1 P00915 2/20 0.56
ALDH1A1 P00352 1/20 0.56
TP53 P04637 1/20 0.56
KDM4E B2RXH2 2/20 0.53

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
SCHEMBL3903634 0.94 CA12 (0.59) CA12CA6CA7CA9CA14
SCHEMBL9340665 0.94 CA12 (0.59) CA12CA6CA7CA9CA14
SCHEMBL28270677 0.94 CA12 (0.59) CA12CA6CA7CA9CA14
SCHEMBL3910104 0.94 CA12 (0.59) CA12CA6CA7CA9CA14
SCHEMBL3910107 0.94 CA12 (0.59) CA12CA6CA7CA9CA14
SCHEMBL3903636 0.94 CA12 (0.59) CA12CA6CA7CA9CA14
Nitric Acid SCHEMBL8763088 0.86 CA5B (0.56) CA12CA6CA7CA9CA14
Nitric Acid SCHEMBL2734480 0.86 CA5B (0.56) CA12CA6CA7CA9CA14
Nitric Acid SCHEMBL1846972 0.86 CA5B (0.56) CA12CA6CA7CA9CA14
Nitric Acid SCHEMBL19272424 0.86 CA5B (0.56) CA12CA6CA7CA9CA14

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
EP-0204526-B1 SILICONE ELASTOMERS XEROX CORPORATION (US) 1992-06-10 EP claimed