SCHEMBL3706435

SCHEMBL3706435

CCCCNC(=O)N(C(=O)O)c1nc2ccccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
BCHE P06276 2/20 0.49
TRPC3 Q13507 1/20 0.49
TRPC4 Q9UBN4 1/20 0.49
TRPC5 Q9UL62 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
SPHK2 Q9NRA0 1/20 0.46
SPHK1 Q9NYA1 1/20 0.46
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
HTT P42858 1/20 0.43
DAGLA Q9Y4D2 1/20 0.43
ACHE P22303 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL1010436 0.88 ALDH1A1 (0.47) ALDH1A1NPC1RAB9ABCHETRPC3
SCHEMBL8085776 0.83 ALDH1A1 (0.49) ALDH1A1NPC1RAB9ABCHETRPC3
SCHEMBL8087678 0.83 NPC1 (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2DRD2
Benzimidazole SCHEMBL10792070 0.81 ALDH1A1 (0.41) ALDH1A1NPC1RAB9ABCHETRPC3
SCHEMBL10925258 0.79 BCHE (0.48) ALDH1A1NPC1RAB9ABCHETRPC3
SCHEMBL8594130 0.77 HDAC3 (0.60) ALDH1A1NPC1RAB9ABCHETRPC3
SCHEMBL3715154 0.76 ALDH1A1 (0.47) ALDH1A1NPC1RAB9ABCHETRPC3
SCHEMBL11237760 0.76 LMNA (0.48) ALDH1A1NPC1RAB9ABCHETRPC3
Carbamic Acid SCHEMBL11235370 0.76 HDAC3 (0.55) ALDH1A1NPC1RAB9ABCHETRPC3
SCHEMBL11782333 0.75 ALDH1A1 (0.50) ALDH1A1NPC1RAB9ABCHETRPC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0817564-B1 MEDIUM FOR STORING, TRANSPORTING AND/OR GROWING A PLANT RANPAK CORP (US) 2000-10-11 EP claimed
EP-0125901-B1 FUNGICIDAL ANILINE DERIVATIVES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-02-08 EP claimed
EP-4255190-A1 COPPER-BASED FUNGICIDE COMPOSITION ADAMA MAKHTESHIM LTD. (IL) 2023-10-11 EP disclosed
WO-2022118255-A1 COPPER-BASED FUNGICIDE COMPOSITION ADAMA MAKHTESHIM LTD. (IL) 2022-06-09 WO 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
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-0715495-B1 ANTIBACTERIAL AND ANTIFOULING OXATHIAZINES AND THEIR OXIDES JANSSEN PHARMACEUTICA NV (BE) 1998-03-11 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
EP-0255760-A1 A process for the production of a granule-shaped composition comprising agricultural chemical compound MEIJI SEIKA KAISHA LTD. (JP) 1988-02-10 EP disclosed