SCHEMBL8004814

SCHEMBL8004814

CN(Cc1ccc(Oc2ccccc2)c(S(C)(=O)=O)c1)C(=O)N=C(N)NOS(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSD P07339 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
C5AR1 P21730 1/20 0.34

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
SCHEMBL8004007 0.83 C5AR1 (0.37) KCNQ3KCNQ2CA2CA4C5AR1
SCHEMBL9018656 0.82 POLB (0.37) CTSDMEN1KMT2ACA2CA4
SCHEMBL8004812 0.71 KCNQ3 (0.42) KCNQ3KCNQ2CA2CA4
SCHEMBL7995263 0.69 SLC6A4 (0.48) KCNQ3KCNQ2CA2CA4
SCHEMBL8004004 0.67 KCNQ3 (0.39) MEN1KMT2AKCNQ3KCNQ2CA2
SCHEMBL8363877 0.67 SLC9A1 (0.56)
Hydrochloric Acid SCHEMBL8743851 0.67 SLC9A1 (0.55)
SCHEMBL9018660 0.65 POLB (0.33) MEN1KMT2AKCNQ3KCNQ2CA2
SCHEMBL7995261 0.65 TTR (0.61) CA2CA4
SCHEMBL29625906 0.64 BRD4 (0.46) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6022899-A EFFECTIVE INHIBITORS OF THE CELLULAR SODIUM PROTON ANTIPORTER HOECHST AKTIENGESELLSCHAFT (DE) 2000-02-08 US claimed
US-6022899-A EFFECTIVE INHIBITORS OF THE CELLULAR SODIUM PROTON ANTIPORTER HOECHST AKTIENGESELLSCHAFT (DE) 2000-02-08 US disclosed
US-5753710-A INHIBITORS OF THE CELLULAR SODIUM PROTON ANTIPORTER HOECHST AKTIENGESELLSCHAFT (DE) 1998-05-19 US disclosed