SCHEMBL9568932

SCHEMBL9568932

CCOC(=O)C(C)Sc1cc(N=C=O)c(F)cc1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 6/20 0.34
TDP1 Q9NUW8 3/20 0.34
NPSR1 Q6W5P4 2/20 0.33
PPOX P50336 3/20 0.33
KDM4E B2RXH2 7/20 0.33
ALDH1A1 P00352 5/20 0.33
LMNA P02545 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ALOX15 P16050 1/20 0.33
POLB P06746 3/20 0.32
TP53 P04637 1/20 0.32
PRNP P04156 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RAB9A P51151 2/20 0.31
TSHR P16473 2/20 0.31
NPC1 O15118 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
SCHEMBL9569006 0.86 MAPT (0.37) HPGDMEN1KMT2AGAAMAPT
SCHEMBL9851164 0.80
SCHEMBL8602688 0.76 MAPT (0.37) HPGDMEN1KMT2AGAAMAPT
SCHEMBL16047641 0.69 ALDH1A1 (0.51) HPGDMEN1KMT2AGAAMAPT
SCHEMBL10578397 0.68 PPOX (0.52) HPGDMEN1KMT2AGAAMAPT
SCHEMBL9694976 0.68 ALDH1A1 (0.39) HPGDMEN1KMT2AGAAMAPT
SCHEMBL10986658 0.68 CA12 (0.36) HPGDMAPTKDM4EALDH1A1LMNA
SCHEMBL5846557 0.68 CYP3A4 (0.42) HPGDTDP1ALDH1A1
SCHEMBL8602264 0.67 ESR1 (0.35) HPGDTDP1NPSR1ALDH1A1LMNA
SCHEMBL9834892 0.66 ALDH1A1 (0.34) HPGDTDP1ALDH1A1

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-0529402-A1 N-(3-alkylthio-phenyl)-oxazindiones as herbicides BAYER AG (DE) 1993-03-03 EP disclosed