SCHEMBL3678231

SCHEMBL3678231

CCCc1ccc(NC(=O)N(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
HRH3 Q9Y5N1 1/20 0.53
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
POLB P06746 1/20 0.49
APEX1 P27695 1/20 0.49
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
PLK1 P53350 1/20 0.47

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
SCHEMBL8867731 0.86 TSHR (0.58) TSHRHRH3CA12CA1CA2
SCHEMBL8867740 0.86 TSHR (0.58) TSHRHRH3CA12CA1CA2
SCHEMBL14468490 0.85 TSHR (0.61) TSHRCA12CA1CA2CA9
SCHEMBL100560 0.83 TSHR (0.63) TSHRCA12CA1CA2CA9
SCHEMBL687878 0.82 TSHR (0.79) TSHRCA12CA1CA2CA9
SCHEMBL11112348 0.81 ALDH1A1 (0.57) TSHRHDAC3HDAC4HDAC1HDAC7
SCHEMBL11109576 0.81 TSHR (0.53) TSHRHRH3CA12CA1CA2
SCHEMBL11104075 0.81 TSHR (0.53) TSHRHRH3CA12CA1CA2
SCHEMBL15093809 0.81 HRH3 (0.65) HRH3CA12CA1CA2CA9
SCHEMBL8531301 0.80 TSHR (0.59) TSHRCA12CA1CA2CA9

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0249075-B1 AQUEOUS SUSPENSION CONCENTRATE COMPOSITIONS AMERICAN CYANAMID COMPANY (US) 1991-04-10 EP claimed
EP-0188815-A1 Herbicidal combinations AMERICAN CYANAMID COMPANY (US) 1986-07-30 EP claimed
EP-2180790-A2 SYNERGISTIC HERBICIDAL COMPOSITION CONTAINING CERTAIN PYRIDINE OR PYRIMIDINE CARBOXYLIC ACIDS AND CERTAIN CEREAL AND RICE HERBICIDES Dow AgroSciences LLC (US) 2010-05-05 EP disclosed
EP-2091323-A2 PESTICIDAL AGGREGATES Innovaform Technologies, LLC (US) 2009-08-26 EP disclosed
EP-1828127-A4 INSECTICIDAL BIS(SUBSTITUTED PHENYL)-1-äÝ4-(SATURATED HETEROCYCLYL-SUBSTITUTED)PHENYLMETHYL¨-(4-PIPERIDYL)üMETHANE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2009-04-29 EP disclosed
WO-2009029518-A2 SYNERGISTIC HERBICIDAL COMPOSITION CONTAINING CERTAIN PYRIDINE OR PYRIMIDINE CARBOXYLIC ACIDS AND CERTAIN CEREAL AND RICE HERBICIDES DOW AGROSCIENCES LLC (US) 2009-03-05 WO disclosed
EP-1673083-A4 N-SUBSTITUTED AZACYCLES BAYER CROPSCIENCE AG (DE) 2008-12-17 EP disclosed
EP-1620401-A4 PHENYL SUBSTITUTED CYCLIC DERIVATIVES BAYER CROPSCIENCE AG (DE) 2008-08-13 EP disclosed
WO-2008076807-A2 PESTICIDAL AGGREGATES INNOVAFORM TECHNOLOGIES, LLC (US) 2008-06-26 WO disclosed
EP-1622889-A4 PESTICIDAL (DIHALOPROPENYL)PHENYLALKYL SUBSTITUTED BENZODIOXOLANE AND BENZODIOXOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2008-01-16 EP disclosed
WO-2007128409-A1 INSECTICIDAL DESPYRROLE ANALOGS OF LISURIDE AND LYSERGAMIDES BAYER CROPSCIENCE AG (DE) 2007-11-15 WO disclosed
WO-2004060865-A2 N-(SUBSTITUTED ARYLMETHYL)-4-(DISUBSTITUTED METHYL)PIPERIDINES AND PIPERAZINES FMC CORPORATION (US) 2004-07-22 WO disclosed
WO-2004026030-A2 INSECTICIDAL TRICYCLIC DERIVATIVES FMC CORPORATION (US) 2004-04-01 WO disclosed
WO-2004010761-A2 PESTICIDAL CYANINE DYE DERIVATIVES FMC CORPORATION (US) 2004-02-05 WO disclosed
WO-2003092374-A2 PESTICIDAL HETEROCYCLES FMC CORPORATION (US) 2003-11-13 WO disclosed
EP-1246529-A2 METHOD FOR SAFENING CROPS FROM THE PHYTOTOXIC EFFECTS OF HERBICIDES BY USE OF PHOSPHORATED ESTERS FMC CORPORATION (US) 2002-10-09 EP disclosed
WO-2001050858-A2 METHOD FOR SAFENING CROPS FROM THE PHYTOTOXIC EFFECTS OF HERBICIDES BY USE OF PHOSPHORATED ESTERS FMC CORPORATION (US) 2001-07-19 WO disclosed
WO-1997012884-A1 HERBICIDAL 6-HETEROCYCLIC INDAZOLE DERIVATIVES FMC CORPORATION (US) 1997-04-10 WO disclosed
EP-0026034-A1 5-Amino-4-cyano-1-(2,4,6-trichlorophenyl)pyrazole, process for its preparation, herbicidal compositions containing it and their use FBC LIMITED (GB) 1981-04-01 EP disclosed
EP-0024841-A1 Plant physiologically active composition and use FBC LIMITED (GB) 1981-03-11 EP disclosed