SCHEMBL8350816

SCHEMBL8350816

CCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC.[BH3-]CCCC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.43
DNM1 Q05193 2/20 0.41
SLC22A1 O15245 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 2/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
Tetrabuthylammonium SCHEMBL1350363 0.95 KIF11 (0.44) KIF11DNM1SLC22A1MEN1KMT2A
Tetrabuthylammonium SCHEMBL810025 0.92 KIF11 (0.42) KIF11DNM1SLC22A1MEN1KMT2A
Cetrimonium SCHEMBL9771956 0.91 DNM1 (0.44) KIF11DNM1MEN1KMT2ATP53
SCHEMBL17199764 0.85 KIF11 (0.50) KIF11DNM1SLC22A1MEN1KMT2A
Tetrylammonium SCHEMBL374839 0.83 KIF11 (0.48) KIF11CYP3A4
Tetrabuthylammonium SCHEMBL28318064 0.82 KIF11 (0.46) KIF11DNM1SLC22A1MEN1KMT2A
Tetramethylammonium Ion SCHEMBL6517997 0.81 KIF11 (0.53) KIF11SMN1; SMN2CYP3A4
SCHEMBL27676286 0.81 KIF11 (0.57) KIF11CYP3A4
SCHEMBL5868580 0.81 KIF11 (0.57) KIF11CYP3A4
SCHEMBL27595906 0.81 KIF11 (0.57) KIF11CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999022667-A1 HAND-HELD INTRAORAL CURING APPARATUS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-05-14 WO disclosed