SCHEMBL730194

SCHEMBL730194

C=CCc1cccnc1CC=C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
CASP1 P29466 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GABRA1 P14867 2/20 0.42
GABRB2 P47870 2/20 0.42
ADRA2B P18089 7/20 0.39
ADRA2C P18825 7/20 0.39
ADRA2A P08913 6/20 0.39
HTR1A P08908 3/20 0.39
NISCH Q9Y2I1 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.36
KCNH2 Q12809 1/20 0.33

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
Bromide SCHEMBL27729503 0.98 ALDH1A1 (0.42) ALDH1A1KDM4EMEN1GAAMAPT
Formamide SCHEMBL27918478 0.91 KDM4E (0.39) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL28191721 0.86 ALDH1A1 (0.40) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL11214263 0.86 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL27895802 0.83 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL17968397 0.82 MET (0.43) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL38230 0.82 MET (0.40) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL1581213 0.81 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL28133304 0.81 CXCR4 (0.41) ALDH1A1KDM4EMEN1GAAMAPT
Hydrochloric Acid SCHEMBL28085302 0.81 KDM4E (0.41) ALDH1A1KDM4EMEN1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119081654-A Hydrogel dust suppressant for coal storage and transportation, and preparation method and application thereof 烟台大学 2024-12-06 CN claimed
CN-118079935-A Preparation method and application of polyacrylic acid hydrogel derived Cu/ZnO/CeO2/ZrO2 monolithic catalyst 三峡大学 2024-05-28 CN claimed
CN-116981712-A Process for preparing polyphenylene ether 株式会社LG化学 2023-10-31 CN claimed
CN-104350641-B Additive for zinc-bromine without membrane flow battery 溴化合物有限公司 2019-01-08 CN claimed
EP-2433930-B1 METHOD FOR PRODUCING PYRIDINE COMPOUND AND PYRIDINE COMPOUND AIR WATER INC (JP) 2015-08-05 EP claimed
US-20150090941-A1 METHOD FOR MANUFACTURING CONDUCTIVE POLYIMIDE FILM KANEKA CORPORATION (JP) 2015-04-02 US claimed
WO-1997005147-A1 METHOD OF PREPARING N-PHOSPHONOMETHYLGLYCINE ESTERS BAYER AKTIENGESELLSCHAFT (DE) 1997-02-13 WO claimed
EP-0576052-A1 Method of forming a photographic coupler capable of forming a wash-out dye EASTMAN KODAK COMPANY (US) 1993-12-29 EP claimed
US-5264582-A Reaction of hydroxyaryl aldehyde or ketone with a halomethyl compound to form ether compound and reducing the product then halogenation and reaction with photographic coupler EASTMAN KODAK COMPANY (US) 1993-11-23 US claimed
EP-0229462-B1 PROCESS FOR THE MANUFACTURE OF HIGH VISCOSITY LUBRICATING OILS MOBIL OIL CORPORATION (US) 1992-01-22 EP claimed
US-5010201-A Process for the preparation of substituted 2-chloropyridines BAYER AKTIENGESELLSCHAFT (DE) 1991-04-23 US claimed
EP-0323885-A1 New chemical process MAY & BAKER LIMITED (GB) 1989-07-12 EP claimed
EP-0229462-A2 Process for the manufacture of high viscosity lubricating oils MOBIL OIL CORPORATION (US) 1987-07-22 EP claimed
US-4618737-A OLIGOMERIZATION OF LOWER OLEFINS; POLYMERIZATION OF HEAVY FRACTION MOBIL OIL CORPORATION (US) 1986-10-21 US claimed
US-4001257-A OXIDATION, NITRIC ACID NIPPON SODA COMPANY LIMITED (JA) 1977-01-04 US claimed
JP-2018460-A None JP disclosed
JP-2018456-A None JP disclosed
EP-0015073-A1 Smoking, flavored and foodstuff compositions PHILIP MORRIS INCORPORATED (US) 1980-09-03 EP disclosed
US-4001257-A OXIDATION, NITRIC ACID NIPPON SODA COMPANY LIMITED (JA) 1977-01-04 US disclosed
US-4001257-A OXIDATION, NITRIC ACID NIPPON SODA COMPANY LIMITED (JA) 1977-01-04 US disclosed