SCHEMBL9450503

SCHEMBL9450503

COCc1nccc(N2CCN(S(=O)(=O)N(C)C)CC2)n1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SORD Q00796 12/20 0.74
TLR9 Q9NR96 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SUV39H2 Q9H5I1 2/20 0.41

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
Hydrochloric Acid SCHEMBL9450505 0.99 SORD (0.72) SORDTLR9TLR7MEN1KMT2A
SCHEMBL29941725 0.85 SORD (1.00) SORD
SCHEMBL7047595 0.85 SORD (1.00) SORD
SCHEMBL6293374 0.84 SORD (0.52) SORDMEN1KMT2AKDM4E
SCHEMBL7588700 0.79 SORD (0.68) SORDMEN1KMT2AKDM4ESUV39H2
SCHEMBL10569550 0.79 SORD (0.54) SORD
SCHEMBL10564194 0.77 SORD (0.53) SORD
SCHEMBL6587912 0.77 SORD (1.00) SORDMEN1KMT2AKDM4ESUV39H2
SCHEMBL6585270 0.77 SORD (1.00) SORDMEN1KMT2AKDM4ESUV39H2
SCHEMBL6587390 0.76 SORD (0.64) SORDMEN1KMT2AKDM4ESUV39H2

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-5215990-A Screening for aldose reductase inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-01 US disclosed
EP-0470616-A2 Substituted pyrimidin derivatives, process for their preparation and their use as reagent HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-12 EP disclosed