SCHEMBL8569496

SCHEMBL8569496

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 6/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TP53 P04637 2/20 0.50
MAPK1 P28482 2/20 0.50
HTT P42858 3/20 0.49
SLC22A1 O15245 2/20 0.48
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 2/20 0.46
HIF1A Q16665 2/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SLC22A2 O15244 1/20 0.44
MLNR O43193 1/20 0.42
NR1I2 O75469 1/20 0.42
ESR1 P03372 1/20 0.42
NR3C1 P04150 1/20 0.42

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
SCHEMBL8571385 1.00 DNM1 (0.51) DNM1SMN1; SMN2MEN1KMT2ATP53
Tetrabuthylammonium SCHEMBL8566410 0.96 DNM1 (0.47) DNM1SMN1; SMN2MEN1KMT2ATP53
Tetrabuthylammonium SCHEMBL8572315 0.96 DNM1 (0.47) DNM1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL8568446 0.96 DNM1 (0.51) DNM1SMN1; SMN2MEN1KMT2ATP53
Tetrabuthylammonium SCHEMBL8567159 0.91 SLC22A1 (0.46) DNM1SMN1; SMN2MEN1KMT2ATP53
Tetrylammonium SCHEMBL8572123 0.89 DNM1 (0.43) DNM1SMN1; SMN2MEN1KMT2ATP53
Tetrylammonium SCHEMBL8572822 0.89 DNM1 (0.43) DNM1SMN1; SMN2MEN1KMT2ATP53
Tetramethylammonium Ion SCHEMBL8566540 0.89 DNM1 (0.50) DNM1SMN1; SMN2MEN1KMT2ATP53
Tetramethylammonium Ion SCHEMBL8572009 0.89 DNM1 (0.50) DNM1SMN1; SMN2MEN1KMT2ATP53
SCHEMBL4530067 0.88 SIGMAR1 (0.44) DNM1SMN1; SMN2MEN1KMT2ATP53

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