SCHEMBL6543022

SCHEMBL6543022

CCCCCCCCCCCC[N+](C)(C)Cc1cccc(Cl)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 7/20 0.53
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
MAPK1 P28482 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
HTT P42858 5/20 0.50
HSP90AA1 P07900 2/20 0.45
RAD52 P43351 2/20 0.45
PSMD14 O00487 1/20 0.45
MMP2 P08253 1/20 0.45
MC4R P32245 1/20 0.45
PNMT P11086 1/20 0.42
MLNR O43193 1/20 0.41
NR1I2 O75469 1/20 0.41
ESR1 P03372 1/20 0.41
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
ADRB2 P07550 1/20 0.41
CHRM2 P08172 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
SCHEMBL6572362 1.00 DNM1 (0.53) DNM1KMT2AMEN1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL8072098 0.98 KMT2A (0.54) DNM1KMT2AMEN1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL6576279 0.98 KMT2A (0.54) DNM1KMT2AMEN1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL6576294 0.98 KMT2A (0.54) DNM1KMT2AMEN1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL6576354 0.98 KMT2A (0.54) DNM1KMT2AMEN1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL11140883 0.86 KMT2A (0.61) DNM1KMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL7132276 0.86 PNMT (0.43) DNM1KMT2AMEN1MAPK1SMN1; SMN2
Gluconic Acid SCHEMBL7614470 0.80 LMNA (0.39) DNM1KMT2AMEN1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL8720796 0.80 KMT2A (0.71) DNM1KMT2AMEN1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL7760973 0.80 KMT2A (0.71) DNM1KMT2AMEN1MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2181596-B1 METHOD OF INHIBITING THE GROWTH OF MICROORGANISM IN AQUEOUS SYSTEMS USING A COMPOSITION COMPRISING LYSOZYME BUCKMAN LABOR INC (US) 2015-07-08 EP claimed
EP-0764676-B1 Method of preparing polycarbonate-polysiloxane block copolymers GEN ELECTRIC (US) 2004-04-28 EP claimed
EP-1218449-B1 MONOAZO DYESTUFFS USEFUL FOR COLOUR FILTERS AND INK JET PRINTING AVECIA LTD (GB) 2004-07-14 EP disclosed
US-6723835-B1 PRINTING DYE; COLOR FILTER; YELLOW; CARBOXY GROUPS ORTHO TO THE AZO LINKAGE PROVIDE LIGHTFASTNESS VERSUS RELATED ORTHO-SULPHO ANALOGUES, WITH NO LOSS IN BRIGHTNESS AVECIA LIMITED (GB) 2004-04-20 US disclosed
EP-1218449-A2 MONOAZO DYESTUFFS USEFUL FOR COLOUR FILTERS AND INK JET PRINTING Avecia Limited (GB) 2002-07-03 EP disclosed
WO-2001021714-A2 MONOAZO DYESTUFFS USEFUL FOR COLOUR FILTERS AND INK JET PRINTING AVECIA LIMITED (GB) 2001-03-29 WO disclosed
WO-2001022127-A1 DYE COMPOSITIONS AND USES AVECIA LIMITED (GB) 2001-03-29 WO disclosed
EP-1047979-A2 COMPOUND, COMPOSITION AND USE Avecia Limited (GB) 2000-11-02 EP disclosed
EP-1047978-A1 COMPOUND, COMPOSITION AND USE Avecia Limited (GB) 2000-11-02 EP disclosed
US-5925487-A TONER COMPRISING SOLID PARTICLES COMPRISING THERMOPLASTIC RESIN AND AROMATIC CARBOCYCLIC HYDROXY CARBOXYLIC ACID AS NEGATIVE CHARGE CONTROL AGENT ZENECA LIMITED (GB) 1999-07-20 US disclosed
WO-1999024874-A1 COMPOUND, COMPOSITION AND USE ZENECA LIMITED (GB) 1999-05-20 WO disclosed
WO-1999024873-A1 COMPOUND, COMPOSITION AND USE AVECIA LIMITED (GB) 1999-05-20 WO disclosed
WO-1999024872-A1 COMPOUND, COMPOSITION AND USE ZENECA LIMITED (GB) 1999-05-20 WO disclosed
WO-1999024871-A1 COMPOUND, COMPOSITION AND USE ZENECA LIMITED (GB) 1999-05-20 WO disclosed
WO-1999024870-A2 COMPOUND, COMPOSITION AND USE AVECIA LIMITED (GB) 1999-05-20 WO disclosed
US-5882833-A COLORS AND AROMATIC SULFONIC ACID SALTS ZENECA LIMITED (GB) 1999-03-16 US disclosed
EP-0789685-A1 GUANIDINE SALT DERIVATES AND USE AS CHARGE CONTROL AGENTS ZENECA LIMITED (GB) 1997-08-20 EP disclosed
WO-1996014294-A1 GUANIDINE SALT DERIVATES AND USE AS CHARGE CONTROL AGENTS ZENECA LIMITED (GB) 1996-05-17 WO disclosed