SCHEMBL11068628

SCHEMBL11068628

NCCCN(CCCN)Cc1ccco1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALOX5 P09917 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CHRM2 P08172 1/20 0.37
RIPK1 Q13546 1/20 0.36

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
SCHEMBL11075200 0.89 MEN1 (0.46) MEN1KMT2AALOX5KDM4EHTT
SCHEMBL11118605 0.85 ALOX5 (0.49) MEN1KMT2AALOX5KDM4EHTT
SCHEMBL4542589 0.84 MEN1 (0.45) MEN1KMT2AALOX5KDM4EHTT
SCHEMBL6952454 0.80 KDM4E (0.56) ALOX5KDM4EHTTALDH1A1CYP3A4
SCHEMBL11461531 0.79 ALOX5 (0.44) MEN1KMT2AALOX5KDM4EHTT
SCHEMBL29839128 0.78 ALDH1A1 (0.50) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL8632615 0.78 POLB (0.47) MEN1KMT2AALOX5KDM4EHTT
SCHEMBL11067773 0.77 ALOX5 (0.49) ALOX5KDM4EHTTALDH1A1TSHR
SCHEMBL9852527 0.76 ALOX5 (0.41) MEN1KMT2AALOX5KDM4EHTT
SCHEMBL11071424 0.76 CHRM2 (0.65) MEN1KMT2AALOX5KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118638467-B Preparation method of self-repairing modified polyurethane coating for automobile clothes 安徽聚力威新材料科技有限公司 2024-11-19 CN claimed
CN-118638467-A Preparation method of self-repairing modified polyurethane coating for automobile clothes 安徽聚力威新材料科技有限公司 2024-09-13 CN claimed
CN-116178353-A Cantilever macrocyclic binuclear nickel metal complex, preparation method and application thereof 四川省产品质量监督检验检测院 2023-05-30 CN claimed
CN-118638467-B Preparation method of self-repairing modified polyurethane coating for automobile clothes 安徽聚力威新材料科技有限公司 2024-11-19 CN disclosed
CN-118638467-A Preparation method of self-repairing modified polyurethane coating for automobile clothes 安徽聚力威新材料科技有限公司 2024-09-13 CN disclosed
CN-116178353-B Cantilever macrocyclic binuclear nickel metal complex, preparation method and application thereof 四川省产品质量监督检验检测院 2023-08-01 CN disclosed
CN-116178353-B Cantilever macrocyclic binuclear nickel metal complex, preparation method and application thereof 四川省产品质量监督检验检测院 2023-08-01 CN disclosed
CN-116178353-A Cantilever macrocyclic binuclear nickel metal complex, preparation method and application thereof 四川省产品质量监督检验检测院 2023-05-30 CN disclosed
CN-116178353-A Cantilever macrocyclic binuclear nickel metal complex, preparation method and application thereof 四川省产品质量监督检验检测院 2023-05-30 CN disclosed
US-RE31670-E ADHESIVES; COATINGS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-09-11 US disclosed
EP-0039156-B1 ONE-PART SOLVENT-FREE THERMOSETTABLE PREPOLYMER COMPOSITION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-08-29 EP disclosed
EP-0039156-A1 One-part solvent-free thermosettable prepolymer composition MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1981-11-04 EP disclosed
US-4273909-A One-part solvent-free thermosettable blocked prepolymer composition containing a diene, together with chain extender, chain terminator and a dienophile MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1981-06-16 US disclosed