SCHEMBL7534017

SCHEMBL7534017

CCCCCCOCCc1scnc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
CYP4F2 P78329 3/20 0.45
CYP4A11 Q02928 3/20 0.45
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
NR5A1 Q13285 1/20 0.37
USP2 O75604 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL6276328 0.94 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1LMNAKDM4E
SCHEMBL27019720 0.83 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1LMNAKDM4E
SCHEMBL16208323 0.79 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1LMNAKDM4E
SCHEMBL16208309 0.79 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1LMNAKDM4E
SCHEMBL6259547 0.74 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1LMNAKDM4E
SCHEMBL20749298 0.71 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1LMNAKDM4E
SCHEMBL27090459 0.67 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1LMNAKDM4E
SCHEMBL21044719 0.66 THRB (0.70) ALDH1A1KMT2AMEN1MAPTTHRB
SCHEMBL21044639 0.66 THRB (0.70) ALDH1A1KMT2AMEN1MAPTTHRB
SCHEMBL21044710 0.66 THRB (0.70) ALDH1A1KMT2AMEN1MAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014174134-A1 IONIC LIQUIDS, METHOD FOR THE PRODUCTION THEREOF, AND USE OF SAME AS ELECTROLYTES FOR ELECTROCHEMICAL ENERGY STORAGE DEVICES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2014-10-30 WO disclosed
CN-100467440-C Quaternary bis-ammonium salt precursors and their uses as prodrugs having an antiparasitic activity CENTRE NAT RECH SCIENT (FR) 2009-03-11 CN disclosed
CN-1733699-A Quaternary bis-ammonium salt precursors and their uses as prodrugs having an antiparasitic activity CENTRE NAT RECH SCIENT (FR) 2006-02-15 CN disclosed
CN-1181043-C Bis-quaternary ammonium salt precursors and their use as antiparasitic prodrugs ���ҿ�ѧ�о����� 2004-12-22 CN disclosed
CN-1372539-A Bis-quaternary ammonium salt precursors and their use as antiparasitic prodrugs CT NAT DE LA RECH SCIENT C N P (FR) 2002-10-02 CN disclosed
EP-1196371-A1 QUATERNARY BIS-AMMONIUM SALT PRECURSORS AND THEIR USES AS PRODRUGS HAVING AN ANTIPARASITIC ACTIVITY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2002-04-17 EP disclosed
WO-2001005742-A1 QUATERNARY BIS-AMMONIUM SALT PRECURSORS AND THEIR USES AS PRODRUGS HAVING AN ANTIPARASITIC ACTIVITY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2001-01-25 WO disclosed