SCHEMBL4711538

SCHEMBL4711538

NC1CCCCC1NC(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.52
MMP2 P08253 3/20 0.51
MMP9 P14780 3/20 0.51
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
MMP13 P45452 2/20 0.51
MMP1 P03956 1/20 0.51
MMP3 P08254 1/20 0.51
MMP8 P22894 1/20 0.51
SSTR3 P32745 3/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MMP7 P09237 1/20 0.49
SMYD3 Q9H7B4 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
KDM1A O60341 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47

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
SCHEMBL4116189 1.00 HDAC4 (0.52) HDAC4MMP2MMP9CA12CA1
SCHEMBL9701078 1.00 HDAC4 (0.52) HDAC4MMP2MMP9CA12CA1
SCHEMBL4760506 1.00 HDAC4 (0.52) HDAC4MMP2MMP9CA12CA1
SCHEMBL28037674 0.97 MMP2 (0.52) HDAC4MMP2MMP9CA12CA1
Maleic Acid SCHEMBL10698815 0.93 HDAC4 (0.47) HDAC4MMP2MMP9CA12CA1
SCHEMBL17772442 0.90 SMYD3 (0.50) NPC1RAB9ASMYD3KDM1AMAOA
SCHEMBL775118 0.88 SSTR3 (0.61) MMP2MMP9MMP13SSTR3NPC1
SCHEMBL9539183 0.85 MMP2 (0.53) HDAC4MMP2MMP9CA12CA1
SCHEMBL774564 0.84 MMP2 (0.59) MMP2MMP9MMP13SSTR3NPC1
SCHEMBL22394702 0.84 HDAC4 (0.53) HDAC4MMP2MMP9CA12CA1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1901747-A2 PYRIMIDINE-BASED CDK INHIBITORS FOR TREATING PAIN Ingenium Pharmaceuticals AG (DE) 2008-03-26 EP claimed
WO-2006125616-A2 PYRIMIDINE-BASED CDK INHIBITORS FOR TREATING PAIN INGENIUM PHARMACEUTICALS AG (DE) 2006-11-30 WO claimed
EP-0263208-A2 Antiarrhythmic use of aminocycloalkylamides THE UPJOHN COMPANY (US) 1988-04-13 EP claimed
EP-0224566-A1 ANTIARRHYTHMIC USE FOR AMINOCYCLOALKYLAMIDES THE UPJOHN COMPANY (US) 1987-06-10 EP claimed
WO-1986007257-A2 ANTIARRHYTHMIC USE FOR AMINOCYCLOALKYLAMIDES THE UPJOHN COMPANY (US) 1986-12-18 WO claimed
CN-114276203-B Method for synthesizing 2-aminobenzamide compound by ultraviolet light induction 湖南大学 2023-03-31 CN disclosed
CN-114276203-A Method for synthesizing 2-aminobenzamide compound by ultraviolet light induction 湖南大学 2022-04-05 CN disclosed
CN-110041272-B 2- (2-chlorphenyl) quinazoline-4 (3H) -ketone derivative and preparation method and application thereof 中国人民解放军军事科学院军事医学研究院 2020-10-30 CN disclosed
CN-110041272-A 2- (2- chlorphenyl) quinazoline -4 (3H) -one analog derivative and its preparation method and application 中国人民解放军军事科学院军事医学研究院 2019-07-23 CN disclosed
CN-110041273-A 2- (the chloro- 4- aminomethyl phenyl of 2-) quinazoline -4 (3H) -one class compound and its medical usage 中国人民解放军军事科学院军事医学研究院 2019-07-23 CN disclosed
CN-105218516-A Therapeutic compounds and related methods of use OTSUKA PHARMA CO LTD 2016-01-06 CN disclosed
EP-1901747-A2 PYRIMIDINE-BASED CDK INHIBITORS FOR TREATING PAIN Ingenium Pharmaceuticals AG (DE) 2008-03-26 EP disclosed
WO-2006125616-A2 PYRIMIDINE-BASED CDK INHIBITORS FOR TREATING PAIN INGENIUM PHARMACEUTICALS AG (DE) 2006-11-30 WO disclosed
WO-1992004017-A1 CIS-N-(2-AMINOCYCLOHEXYL)BENZAMIDE AND THEIR ENANTIOMERS AS ANTICONVULSANTS THE UPJOHN COMPANY (US) 1992-03-19 WO disclosed
WO-1992004017-A1 CIS-N-(2-AMINOCYCLOHEXYL)BENZAMIDE AND THEIR ENANTIOMERS AS ANTICONVULSANTS THE UPJOHN COMPANY (US) 1992-03-19 WO disclosed
EP-0263208-A2 Antiarrhythmic use of aminocycloalkylamides THE UPJOHN COMPANY (US) 1988-04-13 EP disclosed