SCHEMBL8380219

SCHEMBL8380219

COc1cc(OC)nc(N(C(N)=O)S(=O)(=O)C2=C(C(=O)O)C(Cl)N(C)N2C)n1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 2/20 0.32
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
MCOLN3 Q8TDD5 1/20 0.30

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
SCHEMBL987573 0.72 GAA (0.51) SMN1; SMN2TSHRMEN1CYP1A2KMT2A
SCHEMBL8465071 0.72 KMT2A (0.36) SMN1; SMN2TSHRNPSR1MEN1CYP1A2
SCHEMBL8464235 0.69 SMN1; SMN2 (0.33) SMN1; SMN2TSHRNPSR1MEN1CYP1A2
SCHEMBL730603 0.68 ALDH1A1 (0.35) SMN1; SMN2TSHRCYP1A2KMT2ALMNA
SCHEMBL2461185 0.67 TSHR (0.31) SMN1; SMN2TSHRCYP1A2
SCHEMBL1535828 0.67 KMT2A (0.45) SMN1; SMN2TSHRCYP1A2CYP3A4CYP2C19
SCHEMBL4280858 0.67 SMN1; SMN2 (0.43) SMN1; SMN2TSHRNPSR1MEN1CYP1A2
SCHEMBL27290280 0.66 SMN1; SMN2 (0.64) SMN1; SMN2TSHRNPSR1MEN1CYP1A2
SCHEMBL6293979 0.66 SMN1; SMN2 (0.40) SMN1; SMN2TSHRNPSR1MEN1CYP1A2
SCHEMBL11035802 0.66 SMN1; SMN2 (0.46) SMN1; SMN2TSHRNPSR1MEN1CYP1A2

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-0569944-B1 Synergistic herbicide combination HOECHST SCHERING AGREVO GMBH (DE) 1999-03-31 EP claimed