SCHEMBL688934

SCHEMBL688934

CCCCCCCCCCCCCCCc1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
MAPT P10636 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
LMNA P02545 2/20 0.56
HSPB1 P04792 2/20 0.49
PPARG P37231 2/20 0.46
PPARA Q07869 2/20 0.46
TTR P02766 1/20 0.46
TBXA2R P21731 3/20 0.45
ALOX5 P09917 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL688077 0.84 ALDH1A1 (0.53) ALDH1A1PPARGPPARAALOX5KDM4E
SCHEMBL11539636 0.80 MAPT (0.49) ALDH1A1MAPTLMNATTR
SCHEMBL27707836 0.80 MEN1 (0.76) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6719862 0.79 ALDH1A1 (0.60) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6720050 0.79 ALDH1A1 (0.60) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL24767335 0.79 TSHR (0.56) ALDH1A1LMNAHPGDHTT
SCHEMBL8733292 0.79 TSHR (0.56) ALDH1A1LMNAHPGDHTT
SCHEMBL10362242 0.79 MEN1 (0.74) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL9175089 0.77 TSHR (0.57) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL5315872 0.76 MAPT (0.67) ALDH1A1MAPTMEN1KMT2ALMNA

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
US-9234109-B2 Phase change inks XEROX CORPORATION (US) 2016-01-12 US disclosed
US-9234109-B2 Phase change inks XEROX CORPORATION (US) 2016-01-12 US disclosed
EP-2169016-B1 Phase change inks XEROX CORP (US) 2012-02-29 EP disclosed
US-20100080922-A1 PHASE CHANGE INKS XEROX CORPORATION (US) 2010-04-01 US disclosed
EP-2169016-A1 Phase change inks Xerox Corporation (US) 2010-03-31 EP disclosed
US-6500913-B2 REACTING AROMATIC DIACID WITH AROMATIC AMINE COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2002-12-31 US disclosed
US-20020142110-A1 Novel polyimides, process for the preparation thereof and use thereof as alignment films for liquid crystal devices COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2002-10-03 US disclosed