SCHEMBL446006

SCHEMBL446006

CN(C)C=CC(=O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 1.00
ALDH1A1 P00352 10/20 0.72
RAB9A P51151 6/20 0.72
SMN1; SMN2 Q16637 3/20 0.72
POLB P06746 3/20 0.72
NPC1 O15118 3/20 0.72
HSP90AA1 P07900 1/20 0.72
MAPT P10636 9/20 0.70
GAA P10253 3/20 0.70
HTT P42858 4/20 0.67
LMNA P02545 4/20 0.67
HPGD P15428 3/20 0.67
CYP1A2 P05177 2/20 0.67
CYP2C19 P33261 2/20 0.67
ALOX12 P18054 1/20 0.67
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.57
TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL425338 1.00 RECQL (1.00) RECQLALDH1A1RAB9ASMN1; SMN2POLB
SCHEMBL29176317 1.00 RECQL (1.00) RECQLALDH1A1RAB9ASMN1; SMN2POLB
SCHEMBL23251385 0.89 MAPT (0.81) RECQLALDH1A1RAB9ASMN1; SMN2POLB
SCHEMBL12275054 0.89 RECQL (0.79) RECQLALDH1A1RAB9ASMN1; SMN2POLB
SCHEMBL12275056 0.89 RECQL (0.79) RECQLALDH1A1RAB9ASMN1; SMN2POLB
SCHEMBL4894896 0.86 RECQL (0.75) RECQLALDH1A1RAB9ASMN1; SMN2POLB
SCHEMBL4894903 0.86 RECQL (0.75) RECQLALDH1A1RAB9ASMN1; SMN2POLB
SCHEMBL5946453 0.86 MAPT (0.77) RECQLALDH1A1RAB9ASMN1; SMN2POLB
SCHEMBL1448532 0.84 RECQL (0.72) RECQLALDH1A1RAB9ASMN1; SMN2POLB
SCHEMBL12742913 0.84 RECQL (0.72) RECQLALDH1A1RAB9ASMN1; SMN2POLB

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-112028802-B Method for preparing N, N-dimethyl phenyl dithioacetate compound by grinding method 浙江农林大学暨阳学院 2023-04-07 CN claimed
CN-114656430-A 3, 3-difluoromethylene nucleoside compound and preparation method and application thereof 南京工业大学 2022-06-24 CN claimed
CN-107522606-B Synthetic method of 2-methyl-4-carbonyl-2, 4-diphenylbutanal 南京工业大学 2020-04-14 CN claimed
CN-107739368-B N-substituted-5- ((4-substituted pyrimidine-2-yl) amino) indole derivatives, and preparation method and application thereof 厦门大学 2020-02-14 CN claimed
EP-1000012-A1 PROCESS FOR CONVERTING PROPARGYLIC AMINE-N-OXIDES TO ENAMINONES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-17 EP claimed
US-5932745-A HYDROXYLIC SOLVENT AMERICAN HOME PRODUCTS CORPORATION (US) 1999-08-03 US claimed
WO-1999006351-A1 PROCESS FOR CONVERTING PROPARGYLIC AMINE-N-OXIDES TO ENAMINONES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-11 WO claimed
JP-3141251-A None JP disclosed
JP-3141252-A None JP disclosed
EP-3994125-B1 MODULATORS OF HSD17B13 AND METHODS OF USE THEREOF REGENERON PHARMA (US) 2025-12-24 EP disclosed
CN-119900035-A Method for synthesizing 2, 5-disubstituted furan by C-C double bond cleavage free radical tandem electricity 南京工业大学 2025-04-29 CN disclosed
CN-119874625-A Synthesis method of pyrimidine compound promoted by visible light 南通大学 2025-04-25 CN disclosed
CN-115874201-B Electrosynthesis method of furanquinone 南京工业大学 2025-02-25 CN disclosed
EP-0264773-A1 4,5-dihydro and 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidines AMERICAN CYANAMID COMPANY (US) 1988-04-27 EP disclosed
EP-0233461-A2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID COMPANY (US) 1987-08-26 EP disclosed
US-4686309-A ANTIDEPRESSANTS RHONE-POULENC SANTE (FR) 1987-08-11 US disclosed
EP-0153890-A2 Derivatives of 3-phenyl-2-propenamine, their preparation and medicines containing them RHONE-POULENC SANTE (FR) 1985-09-04 EP disclosed
US-4236005-A ANTIANXIETY AMERICAN CYANAMID COMPANY (US) 1980-11-25 US disclosed
US-4209621-A TRANQUILIZERS AMERICAN CYANAMID COMPANY (US) 1980-06-24 US disclosed
US-4178449-A Pyrazolo[1,5-a]pyrimidines and imidazo-[1,5-a]pyrimidines AMERICAN CYANAMID COMPANY (US) 1979-12-11 US disclosed