SCHEMBL8568299

SCHEMBL8568299

CCCCCCCCCCCC[B-](c1ccccc1)(c1ccccc1)c1ccccc1.CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 2/20 0.46
DNM1 Q05193 6/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 2/20 0.45
HIF1A Q16665 2/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
ALOX12 P18054 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 2/20 0.45
HTT P42858 3/20 0.44
SLC22A2 O15244 1/20 0.43
MLNR O43193 1/20 0.41
NR1I2 O75469 1/20 0.41
ESR1 P03372 1/20 0.41
NR3C1 P04150 1/20 0.41

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
SCHEMBL8567123 1.00 SLC22A1 (0.46) SLC22A1DNM1SMN1; SMN2TP53ALDH1A1
SCHEMBL8570366 0.96 SLC22A1 (0.46) SLC22A1DNM1SMN1; SMN2TP53ALDH1A1
SCHEMBL8350815 0.96 SLC22A1 (0.46) SLC22A1DNM1SMN1; SMN2TP53ALDH1A1
Tetrabuthylammonium SCHEMBL6136746 0.96 SLC22A1 (0.43) SLC22A1DNM1SMN1; SMN2TP53ALDH1A1
Tetrabuthylammonium SCHEMBL810024 0.96 SLC22A1 (0.43) SLC22A1DNM1SMN1; SMN2TP53ALDH1A1
Tetrabuthylammonium SCHEMBL8571368 0.96 SLC22A1 (0.43) SLC22A1DNM1SMN1; SMN2TP53ALDH1A1
Tetrabuthylammonium SCHEMBL63397 0.91 SLC22A1 (0.44) SLC22A1DNM1SMN1; SMN2TP53ALDH1A1
Tetrabuthylammonium SCHEMBL9003819 0.91 SLC22A1 (0.44) SLC22A1DNM1SMN1; SMN2TP53ALDH1A1
SCHEMBL810136 0.91 DNM1 (0.40) DNM1SMN1; SMN2TP53MEN1KMT2A
SCHEMBL308412 0.91 DNM1 (0.40) DNM1SMN1; SMN2TP53MEN1KMT2A

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-5814427-A RESIN BINDER, FOR REUSE OF WASTE PAPER BANDO CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-29 US disclosed
EP-0678790-A1 DECOLORABLE TONER AND PRODUCTION METHOD THEREFOR BANDO CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-25 EP disclosed