SCHEMBL21748448

SCHEMBL21748448

NCCCC([SiH3])(CCCN)CCCN

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.40
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA3 P07451 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA5A P35218 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
LMNA P02545 2/20 0.38
BLM P54132 2/20 0.38
DNM1 Q05193 1/20 0.38
TSHR P16473 1/20 0.38
FDPS P14324 2/20 0.36
PDE3A Q14432 1/20 0.36
KIF11 P52732 1/20 0.35
ODC1 P11926 2/20 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
SCHEMBL23923658 0.94 NFKB1 (0.44) NFKB1CA12CA1CA2CA3
SCHEMBL21748452 0.87 DNM1 (0.50) NFKB1CA12CA1CA2CA3
SCHEMBL23923946 0.87 DNM1 (0.50) NFKB1CA12CA1CA2CA3
SCHEMBL1664508 0.82 DNM1 (0.35) NFKB1CA12CA1CA2CA3
SCHEMBL18694932 0.69 NFKB1 (0.46) NFKB1CA12CA1CA2CA3
SCHEMBL636982 0.67
SCHEMBL816414 0.67 NFKB1 (0.43) NFKB1CA12CA1CA2CA3
SCHEMBL1099509 0.67 NFKB1 (0.43) NFKB1CA12CA1CA2CA3
SCHEMBL140976 0.67 NFKB1 (0.43) NFKB1CA12CA1CA2CA3
SCHEMBL23395809 0.64 NFKB1 (0.40) NFKB1CA12CA1CA2CA3

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 7 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
US-9404081-B2 Pyruvate kinase activators for use in therapy AGIOS PHARMACEUTICALS, INC. (US) 2016-08-02 US disclosed