SCHEMBL8697217

SCHEMBL8697217

OC(c1ccccc1)c1ccc2[nH]c(=S)oc2c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 9/20 0.50
KDM4E B2RXH2 2/20 0.50
GAA P10253 2/20 0.50
ALDH1A1 P00352 1/20 0.50
KEAP1 Q14145 1/20 0.49
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
MLKL Q8NB16 1/20 0.38
PRMT5 O14744 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EGFR P00533 2/20 0.36
PIK3CA P42336 2/20 0.36

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
SCHEMBL8698994 0.87 PSMB8 (0.64) PSMB8KDM4EGAAALDH1A1KEAP1
SCHEMBL8701281 0.87 PSMB8 (0.64) PSMB8KDM4EGAAALDH1A1KEAP1
SCHEMBL8703017 0.83 PSMB8 (0.46) PSMB8KDM4EGAAALDH1A1KEAP1
SCHEMBL14565124 0.82 OGT (0.50) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL8701154 0.81 PSMB8 (0.43) PSMB8KDM4EGAAALDH1A1KEAP1
SCHEMBL8698930 0.78 PSMB8 (0.43) PSMB8KDM4EGAAALDH1A1KEAP1
SCHEMBL8702977 0.77 GAA (0.44) PSMB8KDM4EGAAALDH1A1KEAP1
SCHEMBL8697934 0.77 KDM4E (0.44) PSMB8KDM4EGAAALDH1A1KEAP1
SCHEMBL13508871 0.76 PSMB8 (0.61) PSMB8KDM4EGAAALDH1A1KEAP1
SCHEMBL14565145 0.70 OGT (0.50) EGFRPIK3CA

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-1998025913-A1 NOVEL SUBSTITUTED 3H -BENZOXAZOLE-2-THIONES AND 3H -BENZOTHIAZOLE-2 THIONES DERIVATIVES, METHOD FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 1998-06-18 WO disclosed