SCHEMBL15822692

SCHEMBL15822692

NCCCn1ccnc1-c1nc(CO)c[nH]1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.35
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
TLR8 Q9NR97 2/20 0.31
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL6017638 0.75 NISCH (0.38) ESR1ALDH1A1POLBKMT2AMAPK13
SCHEMBL9255222 0.74 ALDH1A1 (0.47) ESR1ALDH1A1POLBKMT2AMAPK13
SCHEMBL462620 0.71 ESR1 (0.60) ESR1ALDH1A1POLBKMT2ACYP3A4
SCHEMBL14416076 0.69 TLR8 (0.40) ALDH1A1POLBKMT2AMAPK13MAPK12
SCHEMBL8910757 0.67 ESR1 (0.59) ESR1ALDH1A1POLBKMT2ATLR8
SCHEMBL16626151 0.67 ALDH1A1 (0.46) ESR1ALDH1A1POLBKMT2ATLR8
SCHEMBL16626152 0.65 TNK2 (0.34)
SCHEMBL137042 0.65 ALDH1A1 (0.69) ALDH1A1POLBKMT2ATLR8TSHR
SCHEMBL6709692 0.64 ALDH1A1 (0.41) ESR1ALDH1A1POLBKMT2AMAPK13
Hydrochloric Acid SCHEMBL14673192 0.64 ALDH1A1 (0.67) ALDH1A1POLBKMT2ATLR8TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2935490-B1 ORGANOPOLYSILOXANE COMPOSITION SUITABLE FOR VULCANISATION INTO AN ELASTOMER AT ROOM TEMPERATURE AND NEW ORGANOPOLYSILOXANE POLYCONDENSATION CATALYSTS ELKEM SILICONES FRANCE SAS (FR) 2022-12-21 EP disclosed
EP-2935492-B1 ARTICLE WITH ANTIFOULING PROPERTIES, INTENDED FOR AQUATIC USES AND, IN PARTICULAR, FOR MARINE USES BLUESTAR SILICONES FRANCE (FR) 2016-10-26 EP disclosed
EP-2935492-A1 ARTICLE WITH ANTIFOULING PROPERTIES, INTENDED FOR AQUATIC USES AND, IN PARTICULAR, FOR MARINE USES Bluestar Silicones France SAS (FR) 2015-10-28 EP disclosed
EP-2935489-A1 ORGANOPOLYSILOXANE COMPOSITION SUITABLE FOR VULCANISATION INTO AN ELASTOMER AT ROOM TEMPERATURE AND NEW ORGANOPOLYSILOXANE POLYCONDENSATION CATALYSTS Bluestar Silicones France SAS (FR) 2015-10-28 EP disclosed
EP-2935491-A1 ARTICLE WITH ANTIFOULING PROPERTIES, INTENDED FOR AQUATIC USES AND, IN PARTICULAR, FOR MARINE USES Bluestar Silicones France SAS (FR) 2015-10-28 EP disclosed
WO-2014096571-A1 ARTICLE WITH ANTIFOULING PROPERTIES, INTENDED FOR AQUATIC USES AND, IN PARTICULAR, FOR MARINE USES BLUESTAR SILICONES FRANCE SAS (FR) 2014-06-26 WO disclosed
WO-2014096572-A1 ARTICLE WITH ANTIFOULING PROPERTIES, INTENDED FOR AQUATIC USES AND, IN PARTICULAR, FOR MARINE USES BLUESTAR SILICONES FRANCE SAS (FR) 2014-06-26 WO disclosed
WO-2014096566-A1 ORGANOPOLYSILOXANE COMPOSITION SUITABLE FOR VULCANISATION INTO AN ELASTOMER AT ROOM TEMPERATURE AND NEW ORGANOPOLYSILOXANE POLYCONDENSATION CATALYSTS BLUESTAR SILICONES FRANCE SAS (FR) 2014-06-26 WO disclosed