SCHEMBL7411994

SCHEMBL7411994

COC(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)c(NC(=O)c2ccc(C(N)=S)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.55
POLB P06746 1/20 0.50
ALDH1A1 P00352 7/20 0.47
CYP2C9 P11712 6/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TSHR P16473 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 4/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.46
F2 P00734 1/20 0.46
F10 P00742 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
ST14 Q9Y5Y6 1/20 0.46
KAT6A Q92794 1/20 0.45

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
SCHEMBL7413497 0.89 SLC16A3 (0.52) ALDH1A1KMT2ALMNASMN1; SMN2GAA
SCHEMBL7407140 0.87 PLAU (0.50) PLAUPOLBALDH1A1MEN1KMT2A
SCHEMBL7407893 0.86 PLAU (0.48) PLAUPOLBALDH1A1MEN1KMT2A
SCHEMBL7411350 0.86 GPR27 (0.51) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL7411398 0.85 ALDH1A1 (0.54) PLAUALDH1A1MEN1KMT2AKDM4E
SCHEMBL7411445 0.85 ALDH1A1 (0.54) PLAUALDH1A1MEN1KMT2AKDM4E
SCHEMBL7407210 0.84 CYP2C9 (0.62) ALDH1A1CYP2C9MEN1KMT2ATSHR
SCHEMBL16116949 0.80 ALDH1A1 (0.72) PLAUPOLBALDH1A1CYP2C9MEN1
SCHEMBL7409063 0.78 SLC16A3 (0.50) ALDH1A1LMNASMN1; SMN2GAAF2
SCHEMBL7411341 0.78 MEN1 (0.65) ALDH1A1CYP2C9MEN1KMT2ATSHR

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
WO-1999042439-A1 NOVEL THIOBENZAMIDES ROCHE DIAGNOSTICS GMBH (DE) 1999-08-26 WO disclosed