SCHEMBL3706438

SCHEMBL3706438

CCCCNC(=O)C1(NC(=O)O)N=c2ccccc2=N1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.45
TSHR P16473 1/20 0.45
NAAA Q02083 2/20 0.42
HPGD P15428 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
EPHX1 P07099 3/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.39
PAX8 Q06710 1/20 0.39
CYP2C9 P11712 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL6369850 0.87 SMN1; SMN2 (0.38) HTTTSHRNAAAHPGDSMN1; SMN2
SCHEMBL3670914 0.86 HTT (0.43) HTTTSHRNAAAHPGDSMN1; SMN2
SCHEMBL20456892 0.81 HTT (0.36) HTTTSHRNAAAHPGDSMN1; SMN2
SCHEMBL27315325 0.78 HPGD (0.44) HTTTSHRNAAAHPGDSMN1; SMN2
SCHEMBL8581599 0.76 HTT (0.43) HTTTSHRNAAAHPGDSMN1; SMN2
SCHEMBL11569250 0.76 PDK2 (0.37) HTTTSHRHPGDGAA
SCHEMBL27674117 0.70 TSHR (0.34) TSHRSMN1; SMN2ALDH1A1GAAPOLB
Toluene SCHEMBL28333239 0.69 HTT (0.59) HTTTSHRNAAAHPGDSMN1; SMN2
SCHEMBL11667314 0.69 MMP1 (0.41) HTTNAAAHPGDEPHX1ALDH1A1
Benzene SCHEMBL28333274 0.67 HTT (0.55) HTTTSHRNAAAHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109790338-A Composition for thermoplastic elastomer 住友化学株式会社 2019-05-21 CN disclosed
US-20180303101-A1 METHOD OF IMPROVING GRASS QUALITY BAYER CROPSCIENCE LP 2018-10-25 US disclosed
US-20180049440-A1 METHOD OF IMPROVING GRASS QUALITY BAYER IP GMBH (DE) 2018-02-22 US disclosed
US-9802846-B2 Treating and recylcing oilfield waste water BAKER HUGHES, A GE COMPANY, LLC (US) 2017-10-31 US disclosed
US-9371479-B2 Controlled release biocides in oilfield applications SCHLUMBERGER TECHNOLOGY CORPORATION (US) 2016-06-21 US disclosed
US-9259004-B2 Method of improving grass quality BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-16 US disclosed
US-20150230472-A1 METHOD OF IMPROVING GRASS QUALITY BAYER CROPSCIENCE LP 2015-08-20 US disclosed
US-20140374103-A1 TREATING AND RECYLCING OILFIELD WASTE WATER BAKER HUGHES INCORPORATED (US) 2014-12-25 US disclosed
US-8426343-B2 Method of improving grass quality BAYER CROPSCIENCE LP (US) 2013-04-23 US disclosed
US-20120285693-A1 CONTROLLED RELEASE BIOCIDES IN OILFIELD APPLICATIONS SCHLUMBERGER TECHNOLOGY CORPORATION 2012-11-15 US disclosed
WO-1999027782-A1 USE OF FATTY ALCOHOL POLYALKOXY ALKYL ETHERS IN AGRICULTURAL FORMULATIONS COGNIS CORPORATION (US) 1999-06-10 WO disclosed
WO-1999026472-A1 USE OF NARROW RANGE ETHOXYLATES OF FATTY ALCOHOLS IN AGRICULTURAL PESTICIDE AND ADJUVANT FORMULATIONS COGNIS CORPORATION (US) 1999-06-03 WO disclosed
US-5880142-A SYNERGISTIC MIXTURE OF CYFLUTHRIN AND SPECIFIC PERMEABLE INSECTICIDE NIHON BAYER AGROCHEM K.K. (JP) 1999-03-09 US disclosed
WO-1999003343-A1 SURFACTANTS FOR USE IN AGRICULTURAL FORMULATIONS HENKEL CORPORATION (US) 1999-01-28 WO disclosed
EP-0831816-A1 USE OF BENZIMIDAZOLES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF LEUKEMIA THE PROCTER & GAMBLE COMPANY (US) 1998-04-01 EP disclosed
EP-0821586-A1 A PHARMACEUTICAL COMPOSITION CONTAINING BENZIMIDAZOLE FOR INHIBITING THE GROWTH OF CANCERS THE PROCTER & GAMBLE COMPANY (US) 1998-02-04 EP disclosed
US-5661164-A APPLYING A SYNERGISTIC MIXTURE OF CYFLUTHRIN, 1-(6-CHLORO-3-PYRIDYLMETHYL)-N-NITROIMIDAZOLIDIN-2-YLIDENE-AMINE AND A CARRIER NIHON BAYER AGROCHEM K.K. (JP) 1997-08-26 US disclosed
WO-1996040122-A1 USE OF BENZIMIDAZOLES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF LEUKEMIA THE PROCTER & GAMBLE COMPANY (US) 1996-12-19 WO disclosed
WO-1996032107-A1 A PHARMACEUTICAL COMPOSITION CONTAINING BENZIMIDAZOLE FOR INHIBITING THE GROWTH OF CANCERS THE PROCTER & GAMBLE COMPANY (US) 1996-10-17 WO disclosed
WO-1995028410-A1 BIOLOGICALLY ACTIVE COMPOSITION HENKEL CORPORATION (US) 1995-10-26 WO disclosed