SCHEMBL9720429

SCHEMBL9720429

NCCNCCCCCCNCCNCCCCCCNCCN

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.79
CA6 P23280 5/20 0.79
CA7 P43166 5/20 0.79
CA9 Q16790 5/20 0.79
CA14 Q9ULX7 5/20 0.79
CA5B Q9Y2D0 5/20 0.79
CA2 P00918 4/20 0.79
CA4 P22748 4/20 0.79
CA5A P35218 4/20 0.79
LMNA P02545 3/20 0.79
CA3 P07451 3/20 0.79
ALOX15 P16050 3/20 0.79
TDP1 Q9NUW8 2/20 0.79
CA1 P00915 2/20 0.79
ALDH1A1 P00352 1/20 0.79
TP53 P04637 1/20 0.79
KDM4E B2RXH2 1/20 0.73
MEN1 O00255 2/20 0.71
RECQL P46063 2/20 0.71
KMT2A Q03164 2/20 0.71

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
SCHEMBL11808474 1.00 CA12 (0.79) CA12CA6CA7CA9CA14
SCHEMBL7712115 0.96 CA12 (0.79) CA12CA6CA7CA9CA14
SCHEMBL6658738 0.96 CA12 (0.79) CA12CA6CA7CA9CA14
SCHEMBL6251707 0.96 CA12 (0.79) CA12CA6CA7CA9CA14
Trientine SCHEMBL15016070 0.94 CA12 (0.77) CA12CA6CA7CA9CA14
Hydrochloric Acid SCHEMBL6250226 0.93 UBE2N (0.75) CA12CA6CA7CA9CA14
SCHEMBL11420216 0.93 CA12 (0.92) CA12CA6CA7CA9CA14
SCHEMBL26667 0.93 CA12 (0.85) CA12CA6CA7CA9CA14
SCHEMBL7206015 0.90 CA12 (0.81) CA12CA6CA7CA9CA14
SCHEMBL15306482 0.90 CA12 (0.81) 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
US-5115006-A Modified conjugated diene rubber with alkali or alkaline earth metals, and amine NIPPON ZEON CO., LTD. (JP) 1992-05-19 US disclosed