SCHEMBL10468432

SCHEMBL10468432

C#CCCCC#CCOC1CCCCO1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4C Q9H3R0 1/20 0.30
GRM5 P41594 1/20 0.30
WEE1 P30291 1/20 0.30

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
SCHEMBL24450554 0.87 MEN1 (0.43) MEN1KMT2AKDM4C
SCHEMBL3704510 0.86 MEN1 (0.42) MEN1KMT2AKDM4C
SCHEMBL3705231 0.85 MEN1 (0.44) MEN1KMT2AKDM4C
SCHEMBL6151098 0.85 MEN1 (0.33) MEN1KMT2AKDM4CGRM5WEE1
SCHEMBL24450592 0.85 MEN1 (0.44) MEN1KMT2AKDM4C
SCHEMBL3715148 0.85 MEN1 (0.44) MEN1KMT2AKDM4C
SCHEMBL10576592 0.83 MEN1 (0.38) MEN1KMT2AKDM4CGRM5
SCHEMBL5857211 0.83 MEN1 (0.34) MEN1KMT2AKDM4CGRM5WEE1
SCHEMBL6151292 0.83 MEN1 (0.36) MEN1KMT2AKDM4CGRM5WEE1
SCHEMBL10578693 0.83 CHRM2 (0.34) MEN1KMT2AKDM4CGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4939169-A 1,4-naphthalenediol and 1,4-hydroquinone derivatives THE UPJOHN COMPANY (US) 1990-07-03 US disclosed
US-4871868-A FROM AN ORGANIC HALIDE OR AN ARYL SULFONATE AND AN ALKALI METAL ACETYLIDE, 1,3-DIALKYL-2-IMIDAZOLIDINONE PROMOTER TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-10-03 US disclosed
US-4851586-A LIPOXYGENASE AND LEUKOTRIENE INHIBITORS, ANTIINFLAMMATORY, ANTISECRETORY THE UPJOHN COMPANY (US) 1989-07-25 US disclosed
EP-0284237-A1 Production of substituted acetylenic compounds Takeda Chemical Industries, Ltd. (JP) 1988-09-28 EP disclosed
EP-0246245-A1 1,4-NAPHTHALENEDIOL AND 1,4-HYDROQUINONE DERIVATIVES THE UPJOHN COMPANY (US) 1987-11-25 EP disclosed
WO-1987001698-A2 1,4-NAPHTHALENEDIOL AND 1,4-HYDROQUINONE DERIVATIVES THE UPJOHN COMPANY (US) 1987-03-26 WO disclosed
EP-0038160-B1 QUINONE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1984-09-19 EP disclosed
US-4393075-A SLOW-REACTING-SUBSTANCE OF ANAPHYLAXIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-07-12 US disclosed
EP-0038160-A1 Quinone compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1981-10-21 EP disclosed