SCHEMBL180961

SCHEMBL180961

CC(=O)c1ccccc1C#N

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
GALR3 O60755 1/20 0.48
RAB9A P51151 1/20 0.48
TSHR P16473 1/20 0.46
POLB P06746 3/20 0.46
LMNA P02545 2/20 0.45
MAPT P10636 1/20 0.44
FFAR1 O14842 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 1/20 0.43
PPIA P62937 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL21820768 0.86 SMN1; SMN2 (0.54) ALDH1A1RAB9ATSHRPOLBLMNA
SCHEMBL6276445 0.82 PPIA (0.45) ALDH1A1TSHRPOLBLMNAMAPT
SCHEMBL31000747 0.82 PPIA (0.45) ALDH1A1TSHRPOLBLMNAMAPT
SCHEMBL2913776 0.82 ALDH1A1 (0.45) ALDH1A1TSHRPOLBLMNAMAPT
SCHEMBL30148729 0.82 MAPT (0.44) ALDH1A1GALR3RAB9ATSHRPOLB
SCHEMBL9522265 0.82 MAPT (0.44) ALDH1A1GALR3RAB9ATSHRPOLB
SCHEMBL11113016 0.82 CXCR2 (0.44) ALDH1A1GALR3RAB9ATSHRPOLB
Acetone SCHEMBL2552960 0.81 TSHR (0.54) ALDH1A1GALR3RAB9ATSHRPOLB
SCHEMBL8681119 0.80 NOTUM (0.41) ALDH1A1GALR3RAB9ATSHRPOLB
SCHEMBL4716508 0.80 NOTUM (0.41) ALDH1A1GALR3RAB9ATSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112795017-A Preparation method of silicone rubber with polar functional groups 张爱民 2021-05-14 CN claimed
EP-2529388-B1 FRAGMENTATION REAGENTS FOR MASS SPECTROMETRY MICROMASS LTD (GB) 2019-10-23 EP claimed
CN-108779140-A For synthesizing the Compounds and methods for for 5- (the color amino Carboxylamide of N-protected) -2 '-uracil deoxyriboside phosphoramidates being incorporated in nucleic acid sequence 私募蛋白质体公司 2018-11-09 CN claimed
EP-3143055-A2 POLYMERS FUNCTIONALIZED WITH PROTECTED OXIME COMPOUNDS CONTAINING A CYANO GROUP Bridgestone Corporation (JP) 2017-03-22 EP claimed
WO-2015175280-A2 POLYMERS FUNCTIONALIZED WITH PROTECTED OXIME COMPOUNDS CONTAINING A CYANO GROUP BRIDGESTONE CORPORATION (JP) 2015-11-19 WO claimed
US-20130122599-A1 Fragmentation Reagents For Mass Spectrometry MICROMASS UK LIMITED (GB) 2013-05-16 US claimed
EP-2141151-B1 METHOD FOR PRODUCING 2-HALOIMIDAZOLE COMPOUND SHIKOKU CHEM (JP) 2013-03-20 EP claimed
EP-2529388-A1 FRAGMENTATION REAGENTS FOR MASS SPECTROMETRY Micromass UK Limited (GB) 2012-12-05 EP claimed
CN-101652350-B Method for producing 2-halogenoimidazole compound SHIKOKU CHEM 2012-05-09 CN claimed
WO-2011092515-A1 FRAGMENTATION REAGENTS FOR MASS SPECTROMETRY MICROMASS UK LIMITED (GB) 2011-08-04 WO claimed
CN-101652350-A Make the method for 2-halo imidazolium compounds SHIKOKU CHEM JP 2010-02-17 CN claimed
EP-2141151-A1 METHOD FOR PRODUCING 2-HALOIMIDAZOLE COMPOUND SHIKOKU CHEMICALS CORPORATION (JP) 2010-01-06 EP claimed
US-5041567-A Human and veterianary medicine; veneral diseases respiratory diseases, bovine mastitis BEECHAM GROUP PLC (GB) 1991-08-20 US claimed
EP-3845515-B1 PRODUCTION METHOD FOR CRYSTAL OF REDUCED COENZYME Q10 HAVING EXCELLENT STABILITY KANEKA CORP (JP) 2025-11-12 EP disclosed
EP-4370580-B1 HARDENER FOR EPOXIDE RESINS SIKA TECH AG (CH) 2025-04-30 EP disclosed
EP-4370578-B1 ACCELERATOR FOR EPOXIDE RESINS SIKA TECH AG (CH) 2025-04-23 EP disclosed
US-5130493-A Oxidation of o-cresol in the presence of a chelate compound of iron and manganese with mesotetraarylporphine BAYER AKTIENGESELLSCHAFT (DE) 1992-07-14 US disclosed
EP-0455545-A1 Process for the preparation of mono- or polyalkoxylated aromatic compounds RHONE-POULENC CHIMIE (FR) 1991-11-06 EP disclosed
EP-0451650-A1 Method for the production of o-hydroxy-benzaldehydes BAYER AG (DE) 1991-10-16 EP disclosed
EP-0195397-A1 m-Cyanophenethanolamines as animal growth promoters and antilipogenic agents AMERICAN CYANAMID COMPANY (US) 1986-09-24 EP disclosed