SCHEMBL8428945

SCHEMBL8428945

CCCCCCCCCCCCNCC=CN

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.56
TSHR P16473 2/20 0.50
ALDH1A1 P00352 1/20 0.50
EPHX1 P07099 2/20 0.46
ADH1B P00325 2/20 0.46
ADH1C P00326 2/20 0.46
ADH1A P07327 2/20 0.46
ADH7 P40394 2/20 0.46
ADH4 P08319 1/20 0.46
PPARA Q07869 1/20 0.39
S1PR2 O95136 5/20 0.38
S1PR4 O95977 5/20 0.38
S1PR1 P21453 5/20 0.38
S1PR3 Q99500 5/20 0.38
S1PR5 Q9H228 1/20 0.38
ANPEP P15144 1/20 0.38
ERAP2 Q6P179 1/20 0.38

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
SCHEMBL3476979 1.00 KDM1A (0.56) KDM1ATSHRALDH1A1EPHX1ADH1B
SCHEMBL10827259 1.00 KDM1A (0.56) KDM1ATSHRALDH1A1EPHX1ADH1B
SCHEMBL8424536 1.00 KDM1A (0.56) KDM1ATSHRALDH1A1EPHX1ADH1B
SCHEMBL10943302 1.00 KDM1A (0.56) KDM1ATSHRALDH1A1EPHX1ADH1B
SCHEMBL5669166 0.98 TSHR (0.52) KDM1ATSHRALDH1A1EPHX1ADH1B
SCHEMBL7037260 0.92 PPARA (0.50) KDM1ATSHRALDH1A1PPARA
SCHEMBL17734071 0.81
SCHEMBL8424809 0.81 KDM1A (0.59) KDM1ATSHRALDH1A1EPHX1ADH1B
SCHEMBL24157573 0.80 KDM1A (0.64) KDM1ATSHRALDH1A1EPHX1ADH1B
SCHEMBL22157514 0.80 KDM1A (0.58) KDM1ATSHRALDH1A1EPHX1ADH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103764712-A Novel liquid curing agents and surfactants Holland Novochem Technical Coatings Bv 2014-04-30 CN claimed
CN-103764711-A Novel polymers and polymer compositions Holland Novochem Technical Coatings Bv 2014-04-30 CN claimed
CN-103764712-A Novel liquid curing agents and surfactants Holland Novochem Technical Coatings Bv 2014-04-30 CN disclosed
CN-103764711-A Novel polymers and polymer compositions Holland Novochem Technical Coatings Bv 2014-04-30 CN disclosed
EP-0774017-B1 SCALE AND CORROSION INHIBITING COMPOSITION FOR PROTECTING SURFACES IN CONTACT WITH WATER AND METHOD FOR THE PREPARATION OF SAID COMPOSITION CONCORDE CHIMIE FRANCE (FR) 1999-10-27 EP disclosed
EP-0774017-A1 SCALE AND CORROSION INHIBITING COMPOSITION FOR PROTECTING SURFACES IN CONTACT WITH WATER AND METHOD FOR THE PREPARATION OF SAID COMPOSITION Concorde Chimie France (FR) 1997-05-21 EP disclosed
WO-1996004411-A1 SCALE AND CORROSION INHIBITING COMPOSITION FOR PROTECTING SURFACES IN CONTACT WITH WATER AND METHOD FOR THE PREPARATION OF SAID COMPOSITION CONCORDE CHIMIE FRANCE (FR) 1996-02-15 WO disclosed
US-4606844-A Fluorochlorohydrocarbon/phosphoric acid ester/carboxylic acid drying compositions CHLOE CHIMIE (FR) 1986-08-19 US disclosed
EP-0182839-A1 SELF-EMULSIONABLE COMPOSITIONS BASED ON FLUOROCHLOROHYDROCARBONS AND PHOSPHORIC ESTERS ELF ATOCHEM S.A. (FR) 1986-06-04 EP disclosed
WO-1985005643-A1 SELF-EMULSIONABLE COMPOSITIONS BASED ON FLUOROCHLOROHYDROCARBONS AND PHOSPHORIC ESTERS SOCIETE ATOCHEM (FR) 1985-12-19 WO disclosed