SCHEMBL9109002

SCHEMBL9109002

CC12COCCNCCOCC(C)(COCCNCCOC1)COCCNCCOC2

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
CYP2C9 P11712 1/20 0.53

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
SCHEMBL27352907 0.85 MEN1 (0.43) MEN1KMT2AKDM4EGAACYP2C9
SCHEMBL11808060 0.77 MEN1 (0.53) MEN1KMT2AKDM4EGAACYP2C9
SCHEMBL1692392 0.76
Morpholine SCHEMBL9177109 0.75
Morpholine SCHEMBL3272572 0.74
Morpholine SCHEMBL18434 0.73
Morpholine SCHEMBL3233209 0.73 MEN1 (0.92) MEN1KMT2AKDM4EGAACYP2C9
SCHEMBL22491036 0.73 MEN1 (0.92) MEN1KMT2AKDM4EGAACYP2C9
Morpholine SCHEMBL986 0.73
SCHEMBL244992 0.73 MEN1 (0.92) MEN1KMT2AKDM4EGAACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5417959-A Functionalized aza-crytand ligands for diagnostic imaging applications MALLINCKRODT MEDICAL, INC. (US) 1995-05-23 US disclosed
WO-1995010217-A2 FUNCTIONALIZED AZA-CRYPTAND LIGANDS FOR IMAGING APPLICATIONS MALLINCKRODT MEDICAL, INC. (US) 1995-04-20 WO disclosed