SCHEMBL21748451

SCHEMBL21748451

NCCC[Si](CCCN)(CCCN)CCCN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.46
DNM1 Q05193 5/20 0.43
CA12 O43570 3/20 0.43
CA2 P00918 3/20 0.43
CA4 P22748 3/20 0.43
CA6 P23280 3/20 0.43
CA5A P35218 3/20 0.43
CA7 P43166 3/20 0.43
CA9 Q16790 3/20 0.43
CA14 Q9ULX7 3/20 0.43
CA5B Q9Y2D0 3/20 0.43
CA1 P00915 2/20 0.43
CA3 P07451 2/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
BLM P54132 1/20 0.43
CASP2 P42575 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
F13A1 P00488 1/20 0.32

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
SCHEMBL21748458 0.85 DNM1 (0.57) NFKB1DNM1CA12CA2CA4
SCHEMBL21748457 0.84 DNM1 (0.43) NFKB1DNM1CA12CA2CA4
SCHEMBL20582506 0.84 DNM1 (0.50) NFKB1DNM1CA12CA2CA4
SCHEMBL4816403 0.84 DNM1 (0.43) NFKB1DNM1CA12CA2CA4
SCHEMBL625681 0.80 DNM1 (0.60) DNM1CA12CA2CA4CA6
SCHEMBL999841 0.79 DNM1 (0.38) NFKB1DNM1CA12CA2CA4
SCHEMBL16705799 0.79 NFKB1 (0.35) NFKB1DNM1CA12CA2CA4
SCHEMBL21748447 0.79 DNM1 (0.38) NFKB1DNM1CA12CA2CA4
SCHEMBL196319 0.77
SCHEMBL4525210 0.77 NFKB1 (0.40) NFKB1DNM1CA12CA2CA4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3841167-B1 COMPOSITION FOR SILICONE RUBBER MASSES NITROCHEMIE GMBH (DE) 2023-02-22 EP disclosed
EP-3613803-B1 COMPOSITION FOR SILICONE RUBBER MASSES NITROCHEMIE GMBH (DE) 2022-02-23 EP disclosed
US-20210324195-A1 Composition for Silicone Rubber Masses NITROCHEMIE ASCHAU GMBH (DE) 2021-10-21 US disclosed
EP-3841167-A1 COMPOSITION FOR SILICONE RUBBER MATERIALS Nitrochemie Aschau GmbH (DE) 2021-06-30 EP disclosed
WO-2020038950-A1 COMPOSITION FOR SILICONE RUBBER MATERIALS NITROCHEMIE ASCHAU GMBH (DE) 2020-02-27 WO disclosed
EP-3613803-A1 COMPOSITION FOR SILICONE RUBBER MASSES Nitrochemie Aschau GmbH (DE) 2020-02-26 EP disclosed