SCHEMBL9400751

SCHEMBL9400751

O=S(=O)([O-])Cl.O=S(=O)([O-])Cl.O=S(=O)([O-])Cl.O=S(=O)([O-])Cl.O=S(=O)([O-])Cl.[Al+3].[Fe+2]

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL301242 0.95 ALDH1A1 (0.50) MEN1ALDH1A1TSHRKMT2AKDM4E
SCHEMBL1962923 0.95 ALDH1A1 (0.50) MEN1ALDH1A1TSHRKMT2AKDM4E
Water SCHEMBL16673190 0.90 MEN1 (0.46) MEN1ALDH1A1TSHRKMT2AKDM4E
Sulfuric Acid SCHEMBL28062822 0.90 MEN1 (0.46) MEN1ALDH1A1TSHRKMT2AKDM4E
SCHEMBL21065818 0.90 MEN1 (0.46) MEN1ALDH1A1TSHRKMT2AKDM4E
Water SCHEMBL11568056 0.90 MEN1 (0.46) MEN1ALDH1A1TSHRKMT2AKDM4E
SCHEMBL3369423 0.89
Zinc Ion SCHEMBL7212485 0.84 ALDH1A1 (0.50) MEN1ALDH1A1TSHRKMT2AKDM4E
Lithium Ion SCHEMBL2231463 0.84
SCHEMBL8142677 0.84 ALDH1A1 (0.50) MEN1ALDH1A1TSHRKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5294352-A Polymer alloy WALDMANN JOHN J (US) 1994-03-15 US claimed