SCHEMBL7640462

SCHEMBL7640462

[3H]C(CCNCCN)[SiH2]OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.41
CA6 P23280 5/20 0.41
CA7 P43166 5/20 0.41
CA9 Q16790 5/20 0.41
CA14 Q9ULX7 5/20 0.41
CA5B Q9Y2D0 5/20 0.41
CA2 P00918 4/20 0.41
CA4 P22748 4/20 0.41
CA5A P35218 4/20 0.41
CA3 P07451 3/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
RECQL P46063 2/20 0.39
LMNA P02545 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
ALOX15 P16050 3/20 0.37
ALDH1A1 P00352 3/20 0.37
CA1 P00915 2/20 0.37
TP53 P04637 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL444286 0.80 CA12 (0.44) CA12CA6CA7CA9CA14
SCHEMBL28097925 0.78 CA12 (0.44) CA12CA6CA7CA9CA14
SCHEMBL15127341 0.72 CA12 (0.46) CA12CA6CA7CA9CA14
Acetic Acid SCHEMBL28167607 0.72 ALDH1A1 (0.42) CA12CA6CA7CA9CA14
SCHEMBL5603730 0.70 CYP2C19 (0.38) MEN1KMT2AALDH1A1CYP2C19CYP1A2
SCHEMBL319594 0.68 TSHR (0.42) MEN1KMT2AALDH1A1CYP2C19CYP1A2
SCHEMBL977878 0.67 CYP2C19 (0.40) CA12CA6CA7CA9CA14
Ether SCHEMBL29118951 0.67 CA12 (0.59) CA12CA6CA7CA9CA14
SCHEMBL18329453 0.65 TSHR (0.44) MEN1KMT2AALDH1A1CYP2C19CYP1A2
Ethylamine SCHEMBL11164523 0.65 CA12 (0.77) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165152-A1 SILANE-BASED COATING WITH A DEODORIZING EFFECT FOR DOMESTIC APPLIANCES INSTITUT FÜR NEUE MATERIALIEN GEM. GMBH (DE) 2002-01-02 EP disclosed
WO-2000059555-A1 SILANE-BASED COATING WITH A DEODORIZING EFFECT FOR DOMESTIC APPLIANCES INSTITUT FÜR NEUE MATERIALIEN GEM. GMBH (DE) 2000-10-12 WO disclosed