SCHEMBL14960932

SCHEMBL14960932

C[N+](C)(C)CC[N+](C)(C)C=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
BLM P54132 1/20 0.36
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
ACHE P22303 4/20 0.35
APEX1 P27695 3/20 0.35
LMNA P02545 3/20 0.35
NFKB1 P19838 2/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PMP22 Q01453 2/20 0.35
HSD17B10 Q99714 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.33
BBOX1 O75936 1/20 0.32
CYP3A4 P08684 1/20 0.32
SLC5A7 Q9GZV3 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
Fluoride Ion SCHEMBL1444803 0.75 MEN1 (0.54) TSHRMEN1KMT2AACHEAPEX1
SCHEMBL3798085 0.73
SCHEMBL235599 0.71 MEN1 (0.58) TSHRMEN1KMT2AACHEAPEX1
SCHEMBL3384942 0.69
Hydrochloric Acid SCHEMBL29050969 0.67 CYP3A4 (0.38) BLMMEN1KMT2ALMNACYP3A4
SCHEMBL3496003 0.67
Iodine SCHEMBL15412382 0.67 TSHR (0.43) TSHRBLMMEN1KMT2AACHE
Bromide SCHEMBL11130043 0.67 MEN1 (0.61) TSHRMEN1KMT2AACHEAPEX1
Hydrochloric Acid SCHEMBL8339730 0.67 APEX1 (0.61) TSHRMEN1KMT2AACHEAPEX1
Iodide SCHEMBL1982646 0.67 MEN1 (0.54) TSHRMEN1KMT2AACHEAPEX1

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-8778457-B2 Hydrophobizing of fibrous materials with polyorganosiloxanes MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2014-07-15 US disclosed
US-20130130040-A1 Hydrophobizing Of Fibrous Materials With Polyorganosiloxanes MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2013-05-23 US disclosed