SCHEMBL6735371

SCHEMBL6735371

[AsH2]C1(c2ccccc2)CCCCC1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.42
MAOA P21397 6/20 0.42
MAOB P27338 6/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 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
SCHEMBL9295240 0.78 KDM1A (0.44) KDM1AMAOAMAOBSLC6A2SLC6A4
SCHEMBL31143852 0.76 KDM1A (0.43) KDM1AMAOAMAOB
SCHEMBL503776 0.75 KDM1A (0.42) KDM1AMAOAMAOBSLC6A2SLC6A4
SCHEMBL1248050 0.75 KDM1A (0.44) KDM1AMAOAMAOBSLC6A2SLC6A4
SCHEMBL5328740 0.75 KDM1A (0.42) KDM1AMAOAMAOBSLC6A2SLC6A4
SCHEMBL2481698 0.75 KDM1A (0.59) KDM1AMAOAMAOB
SCHEMBL1535881 0.75 SLC6A9 (0.43) KDM1AMAOAMAOBSLC6A2SLC6A4
SCHEMBL29209554 0.75 KDM1A (0.42) KDM1AMAOAMAOBSLC6A2SLC6A4
SCHEMBL8720460 0.75 KDM1A (0.42) KDM1AMAOAMAOB
SCHEMBL1582704 0.74 KDM1A (0.41) KDM1AMAOAMAOB

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
US-20160376421-A1 PHENOL-CONTAINING HYDROGENATED NITRILE RUBBER ARLANXEO DEUTSCHLAND GMBH (DE) 2016-12-29 US disclosed
US-20160326273-A1 PHENOL-CONTAINING HYDROGENATED NITRILE RUBBERS ARLANXEO DEUTSCHLAND GMBH (DE) 2016-11-10 US disclosed
US-20160326322-A1 HYRDOGENATED NITRILE RUBBER CONTAINING PHOSPHINE OXIDE OR DIPHOSPHINE OXIDE ARLANXEO DEUTSCHLAND GMBH (DE) 2016-11-10 US disclosed
US-20160326272-A1 HYDROGENATED NITRILE RUBBER CONTAINING PHOSPHINE OXIDE OR DIPHOSPHINE OXIDE ARLANXEO DEUTSCHLAND GMBH (DE) 2016-11-10 US disclosed
US-20160326271-A1 HYDROGENATED NITRILE RUBBER CONTAINING PHOSPHINE SULFIDE OR DIPHOSPHINE SULFIDE ARLANXEO DEUTSCHLAND GMBH (DE) 2016-11-10 US disclosed
US-6683136-B2 OF A NITRILE COPOLYMER RUBBER, USING A HYDROGENATION CATALYST, A COCATALYST, AND A PROTON ACCEPTOR THAT IS NON-COORDINATING WITH THE METAL COMPLEX CATALYST, SUCH AS EPOXIDIZED SOYBEAN OIL (ESBO) BAYER INC. (CA) 2004-01-27 US disclosed
US-20020128393-A1 Esbo enhanced hydrogenation LANXESS INC. (CA) 2002-09-12 US disclosed
EP-1219640-A2 Hydrogenation of nitrile rubber Bayer Inc. (CA) 2002-07-03 EP disclosed
US-5034469-A Ruthenium catalysts for hydrogenation of olefin unsaturated polymers with nitrile groups BAYER AKTIENGESELLSCHAFT (DE) 1991-07-23 US disclosed
US-4631315-A RUTHENIUM HALOGEN PHOSPHANE COMPLEX CATALYST TO PRESERVE NITRILE GROUPS; RUBBERS BAYER AKTIENGESELLSCHAFT (DE) 1986-12-23 US disclosed