SCHEMBL18901072

SCHEMBL18901072

CN(C)CCN(C)CCN(C)I

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.69
CA2 P00918 1/20 0.69
CA3 P07451 1/20 0.69
CA4 P22748 1/20 0.69
CA6 P23280 1/20 0.69
CA5A P35218 1/20 0.69
CA7 P43166 1/20 0.69
CA9 Q16790 1/20 0.69
CA14 Q9ULX7 1/20 0.69
CA5B Q9Y2D0 1/20 0.69
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TNNI3 P19429 1/20 0.34
TNNT2 P45379 1/20 0.34
TNNC1 P63316 1/20 0.34
MAPT P10636 3/20 0.33
TP53 P04637 2/20 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
SCHEMBL18548799 0.90
SCHEMBL17835466 0.83 CA12 (1.00) CA12CA2CA3CA4CA6
SCHEMBL21631277 0.83 CA12 (1.00) CA12CA2CA3CA4CA6
SCHEMBL37515 0.83 CA12 (1.00) CA12CA2CA3CA4CA6
SCHEMBL11808088 0.83 CA12 (1.00) CA12CA2CA3CA4CA6
SCHEMBL36759 0.83 CA12 (1.00) CA12CA2CA3CA4CA6
SCHEMBL10456533 0.83 CA12 (1.00) CA12CA2CA3CA4CA6
SCHEMBL2123852 0.79 CA12 (0.92) CA12CA2CA3CA4CA6
Bromide SCHEMBL7123395 0.79 CA12 (0.92) CA12CA2CA3CA4CA6
Hydrochloric Acid SCHEMBL7115103 0.79 CA12 (0.92) CA12CA2CA3CA4CA6

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
US-20200356049-A1 LIGHT-ACTIVATED CONTROLLED RADICAL POLYMERIZATION META PLATFORMS TECHNOLOGIES, LLC 2020-11-12 US disclosed
EP-2013240-B1 PROCESS FOR THE PREPARATION OF CROSSLINKED NITROXIDE POLYMERS PIOTREK CO LTD (JP) 2017-05-31 EP disclosed