SCHEMBL23923658

SCHEMBL23923658

NCCCCC([SiH3])(CCCN)CCCN

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.44
DNM1 Q05193 6/20 0.41
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA3 P07451 3/20 0.41
CA4 P22748 3/20 0.41
CA6 P23280 3/20 0.41
CA5A P35218 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
CA5B Q9Y2D0 3/20 0.41
TSHR P16473 3/20 0.41
LMNA P02545 1/20 0.41
BLM P54132 1/20 0.41
FDPS P14324 3/20 0.37
PDE3A Q14432 1/20 0.33
KIF11 P52732 1/20 0.32
MEN1 O00255 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
SCHEMBL21748452 0.94 DNM1 (0.50) NFKB1DNM1CA12CA1CA2
SCHEMBL23923946 0.94 DNM1 (0.50) NFKB1DNM1CA12CA1CA2
SCHEMBL21748448 0.94 NFKB1 (0.40) NFKB1DNM1CA12CA1CA2
SCHEMBL1664508 0.77 DNM1 (0.35) NFKB1DNM1CA12CA1CA2
SCHEMBL28910247 0.73
SCHEMBL3792304 0.71 DNM1 (0.53) NFKB1DNM1CA12CA1CA2
SCHEMBL28956919 0.71 NFKB1 (0.47) NFKB1DNM1CA12CA1CA2
SCHEMBL2357721 0.71 NFKB1 (0.47) NFKB1DNM1CA12CA1CA2
SCHEMBL5366358 0.71 NFKB1 (0.47) NFKB1DNM1CA12CA1CA2
SCHEMBL2521751 0.71 NFKB1 (0.39) NFKB1DNM1CA12CA1CA2

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
EP-3841167-B1 COMPOSITION FOR SILICONE RUBBER MASSES NITROCHEMIE GMBH (DE) 2023-02-22 EP disclosed
US-20210324195-A1 Composition for Silicone Rubber Masses NITROCHEMIE ASCHAU GMBH (DE) 2021-10-21 US disclosed