SCHEMBL9790950

SCHEMBL9790950

Br[Mg]C#CCOC1CCCCO1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4C Q9H3R0 1/20 0.32
GRM5 P41594 1/20 0.31

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
SCHEMBL9489674 0.84 MEN1 (0.36) MEN1KMT2AKDM4C
SCHEMBL10576592 0.84 MEN1 (0.38) MEN1KMT2AKDM4CGRM5
SCHEMBL10700390 0.83 MEN1 (0.33) MEN1KMT2AKDM4CGRM5
SCHEMBL7533743 0.81 MEN1 (0.35) MEN1KMT2AKDM4CGRM5
SCHEMBL11268292 0.80 MEN1 (0.42) MEN1KMT2AKDM4C
SCHEMBL5369982 0.79 MEN1 (0.34) MEN1KMT2AKDM4CGRM5
SCHEMBL11813613 0.79 MEN1 (0.35) MEN1KMT2AKDM4CGRM5
SCHEMBL2989785 0.79 MEN1 (0.35) MEN1KMT2AKDM4CGRM5
SCHEMBL11824286 0.78
SCHEMBL8769967 0.78 MEN1 (0.33) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5063229-A Antiinflammatory agents ROUSSEL ULCAF (FR) 1991-11-05 US disclosed
US-4895866-A Anti-inflammatory imidazole compounds ROUSSEL UCLAF (FR) 1990-01-23 US disclosed
US-4810828-A ANTIARTHRITIC, PSORIASIS ROUSSEL UCLAF (FR) 1989-03-07 US disclosed
US-4108851-A 3β,17-Dihydroxy-5α,17α-pregn-20-ene-21-carboxylic acid γ-lactone and esters thereof G. D. SEARLE & CO. (US) 1978-08-22 US disclosed