SCHEMBL63804

SCHEMBL63804

CCN(CC)c1ccc(C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.52
L3MBTL1 Q9Y468 4/20 0.52
CYP2A6 P11509 2/20 0.52
MAPK1 P28482 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
PSMD14 O00487 1/20 0.52
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
RECQL P46063 1/20 0.52
GFER P55789 1/20 0.52
MAPT P10636 8/20 0.51
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
KDM4E B2RXH2 4/20 0.51
GAA P10253 3/20 0.51
HPGD P15428 3/20 0.51
USP2 O75604 1/20 0.51
ALDH3A1 P30838 1/20 0.48
ALDH1A3 P47895 1/20 0.48
CASP1 P29466 2/20 0.45

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
SCHEMBL5010054 0.90 CYP2A6 (0.53) ALDH1A1L3MBTL1CYP2A6MAPK1TDP1
SCHEMBL12636510 0.89 PGR (0.48) ALDH1A1L3MBTL1CYP2A6MAPK1TDP1
SCHEMBL21594521 0.89 ALDH1A1 (0.53) ALDH1A1L3MBTL1CYP2A6MAPK1TDP1
SCHEMBL21594513 0.89 ALDH1A1 (0.53) ALDH1A1L3MBTL1CYP2A6MAPK1TDP1
SCHEMBL6716916 0.89 MAPT (0.55) ALDH1A1L3MBTL1CYP2A6MAPK1TDP1
SCHEMBL5665672 0.89 CYP19A1 (0.47) ALDH1A1L3MBTL1CYP2A6MAPK1TDP1
SCHEMBL6716922 0.89 MAPT (0.55) ALDH1A1L3MBTL1CYP2A6MAPK1TDP1
SCHEMBL7466596 0.85 MAPT (0.45) ALDH1A1L3MBTL1CYP2A6MAPK1TDP1
SCHEMBL7468442 0.85 CYP2A6 (0.42) ALDH1A1L3MBTL1CYP2A6MAPK1TDP1
SCHEMBL151232 0.83 CYP2A6 (0.48) ALDH1A1CYP2A6TSHRMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE35135-E Dental material; mixture of radical-polymerizable monomer, alpha-ketocarbonyl and aromatic amine MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1995-12-26 US claimed
EP-0136186-B1 PHOTOCURABLE RESIN COMPOSITION MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-09-06 EP claimed
US-4548689-A RADICAL POLYMERIZABLE MONOMER, KETOCARBONYL COMPOUND AND MERCAPTOB MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1985-10-22 US claimed
EP-0136186-A2 Photocurable resin composition MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1985-04-03 EP claimed
CN-119431186-A Preparation method of N-alkylamino substituted benzonitrile compound 江苏省农药研究所股份有限公司 2025-02-14 CN disclosed
US-20240181794-A1 Ink Jet Method And Ink Jet Apparatus SEIKO EPSON CORP (JP) 2024-06-06 US disclosed
US-11912051-B2 Ink jet method and ink jet apparatus SEIKO EPSON CORPORATION (JP) 2024-02-27 US disclosed
US-20230407120-A1 Radiation Curable Ink Jet Composition SEIKO EPSON CORPORATION (JP) 2023-12-21 US disclosed
US-11787961-B2 Ink jet process and recording SEIKO EPSON CORPORATION 2023-10-17 US disclosed
WO-2023189803-A1 RESIST UNDERLAYER FILM FORMING COMPOSITION 日産化学株式会社 2023-10-05 WO disclosed
WO-2023189799-A1 SELF CROSS-LINKABLE POLYMER AND RESIST UNDERLAYER FILM-FORMING COMPOSITION 日産化学株式会社 2023-10-05 WO disclosed
US-11773281-B2 Ink set and ink jet method SEIKO EPSON CORPORATION 2023-10-03 US disclosed
EP-0305545-A1 SUBSTITUTED ACRIDINE DERIVATIVES AND THEIR USE Hitachi Chemical Co., Ltd. (JP) 1989-03-08 EP disclosed
EP-0129059-B1 OXAZOLE DERIVATIVES, PROCESS FOR PRODUCTION THEREOF AND USE THEREOF AS PHOTOCONDUCTIVE MATERIAL Hitachi Chemical Co., Ltd. (JP) 1987-01-28 EP disclosed
US-4548689-A RADICAL POLYMERIZABLE MONOMER, KETOCARBONYL COMPOUND AND MERCAPTOB MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1985-10-22 US disclosed
EP-0136186-A2 Photocurable resin composition MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1985-04-03 EP disclosed
EP-0129059-A1 Oxazole derivatives, process for production thereof and use thereof as photoconductive material Hitachi Chemical Co., Ltd. (JP) 1984-12-27 EP disclosed
US-4196233-A Process for coating inorganic substrates with carbides, nitrides and/or carbonitrides CIBA-GEIGY CORPORATION (US) 1980-04-01 US disclosed
US-4028142-A ON IRON, BORON, SILICON ANDOR GROUP 4B TO 6B METALS BY DECOMPOSITION TO PRODUCE DIFFUSION LAYERS CIBA-GEIGY CORPORATION (US) 1977-06-07 US disclosed
US-4011173-A MODIFIED NEMATIC MIXTURES WITH POSITIVE DIELECTRIC ANISOTROPY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-03-08 US disclosed