SCHEMBL9701839

SCHEMBL9701839

CO[Si](C)(C)CCCNCCNCCNCCNCCNCCN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.46
CA6 P23280 5/20 0.46
CA7 P43166 5/20 0.46
CA9 Q16790 5/20 0.46
CA14 Q9ULX7 5/20 0.46
CA5B Q9Y2D0 5/20 0.46
CA2 P00918 4/20 0.46
CA4 P22748 4/20 0.46
CA5A P35218 4/20 0.46
LMNA P02545 3/20 0.46
CA3 P07451 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
ALOX15 P16050 3/20 0.46
CA1 P00915 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
KDM4E B2RXH2 1/20 0.44
CASP2 P42575 2/20 0.42
MEN1 O00255 2/20 0.42
RECQL P46063 2/20 0.42

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
SCHEMBL5505409 1.00 CA12 (0.46) CA12CA6CA7CA9CA14
SCHEMBL978206 0.98 CA12 (0.46) CA12CA6CA7CA9CA14
SCHEMBL34460494 0.92 CA12 (0.48) CA12CA6CA7CA9CA14
SCHEMBL9702836 0.91 CYP2C19 (0.32) ALDH1A1CASP2MEN1KMT2ACYP1A2
SCHEMBL558057 0.89 CYP2C19 (0.33) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL17937723 0.88 CA12 (0.48) CA12CA6CA7CA9CA14
SCHEMBL14732727 0.87 CA12 (0.46) CA12CA6CA7CA9CA14
SCHEMBL12191368 0.85 CA12 (0.48) CA12CA6CA7CA9CA14
SCHEMBL12191358 0.85 CA12 (0.48) CA12CA6CA7CA9CA14
SCHEMBL3834546 0.84 CA12 (0.34) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992005433-A1 CONTINUOUS POSITIVE CHARGE CAPILLARY COLUMNS USED IN CAPILLARY ELECTROPHORESIS KERR ROBERT (FR) 1992-04-02 WO claimed
WO-1992005433-A1 CONTINUOUS POSITIVE CHARGE CAPILLARY COLUMNS USED IN CAPILLARY ELECTROPHORESIS KERR ROBERT (FR) 1992-04-02 WO disclosed