SCHEMBL3344220

SCHEMBL3344220

CC(C)[Ti](CCCNCCN)(CCCNCCN)CCCNCCN

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.48
CA6 P23280 5/20 0.48
CA7 P43166 5/20 0.48
CA9 Q16790 5/20 0.48
CA14 Q9ULX7 5/20 0.48
CA5B Q9Y2D0 5/20 0.48
CA2 P00918 4/20 0.48
CA4 P22748 4/20 0.48
CA5A P35218 4/20 0.48
CA3 P07451 3/20 0.48
MEN1 O00255 2/20 0.46
RECQL P46063 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
ALOX15 P16050 3/20 0.43
CA1 P00915 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
KDM4E B2RXH2 1/20 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
SCHEMBL3345333 0.93 CA12 (0.50) CA12CA6CA7CA9CA14
SCHEMBL35331 0.88 CA12 (0.48) CA12CA6CA7CA9CA14
SCHEMBL3338636 0.84 CA12 (0.50) CA12CA6CA7CA9CA14
SCHEMBL5488559 0.76 CA12 (0.43) CA12CA6CA7CA9CA14
SCHEMBL3340020 0.73 DNM1 (0.42) CA12CA6CA7CA9CA14
SCHEMBL3344650 0.73 DNM1 (0.42) CA12CA6CA7CA9CA14
SCHEMBL3344664 0.73 DNM1 (0.42) CA12CA6CA7CA9CA14
SCHEMBL3339469 0.73 DNM1 (0.42) CA12CA6CA7CA9CA14
SCHEMBL3326732 0.72 ALDH1A1 (0.39) ALDH1A1
Isopropylamine SCHEMBL27588232 0.72 CA12 (0.67) 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-20100150510-A1 FLEXIBLE OPTICAL WAVEGUIDE, PROCESS FOR ITS PRODUCTION, AND EPOXY RESIN COMPOSITION FOR FLEXIBLE OPTICAL WAVEGUIDES NIPPON SHOKUBAI CO., LTD 2010-06-17 US disclosed