SCHEMBL19902989

SCHEMBL19902989

CCN(C)CCCS(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
NLRP3 Q96P20 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
SCHEMBL12853799 0.85 NLRP3 (0.33) NLRP3
SCHEMBL24438183 0.84 CA1 (0.37) KDM5AKDM4CALDH1A1LMNATP53
SCHEMBL19544689 0.82 KDM5A (0.33) KDM5AKDM4C
SCHEMBL20760705 0.79 LTA4H (0.36) KDM5AKDM4C
SCHEMBL16063016 0.79 APP (0.41) KDM5AKDM4CLMNA
SCHEMBL19545190 0.79 KDM5A (0.32) KDM5AKDM4C
SCHEMBL14885533 0.77 ALDH1A1 (0.45) ALDH1A1LMNATP53NLRP3
SCHEMBL19699975 0.76 ALDH1A1 (0.31) ALDH1A1LMNATP53
SCHEMBL15592245 0.76
SCHEMBL15996472 0.74 KDM5A (0.32) KDM5AKDM4C

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
EP-3131905-B1 SPIRO UREA COMPOUNDS AS RSV ANTIVIRAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2018-02-28 EP disclosed