SCHEMBL8697342

SCHEMBL8697342

O=C(c1ccc(Cl)cc1)c1ccc2[nH]c(=S)oc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 7/20 0.64
KEAP1 Q14145 1/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 1/20 0.46
SRD5A2 P31213 1/20 0.42
GAA P10253 1/20 0.41
HTT P42858 3/20 0.41
LMNA P02545 2/20 0.41
CREBBP Q92793 1/20 0.40
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
HPGD P15428 1/20 0.38

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
SCHEMBL8697822 0.87 PSMB8 (0.63) PSMB8KEAP1KDM4EALDH1A1GAA
SCHEMBL8697415 0.85 PSMB8 (0.64) PSMB8KEAP1KDM4EALDH1A1SRD5A2
SCHEMBL8697214 0.85 PSMB8 (0.59) PSMB8KEAP1KDM4EALDH1A1MAPK1
SCHEMBL17260664 0.84 KDM4E (0.62) KDM4EALDH1A1GAALMNACREBBP
SCHEMBL8701858 0.81 PSMB8 (0.54) PSMB8KEAP1KDM4EALDH1A1GAA
SCHEMBL118689 0.80 PSMB8 (0.68) PSMB8KEAP1KDM4EALDH1A1GAA
SCHEMBL8698103 0.79 PSMB8 (0.59) PSMB8KEAP1KDM4EALDH1A1GAA
SCHEMBL779231 0.79 PSMB8 (1.00) PSMB8KEAP1KDM4EALDH1A1GAA
SCHEMBL1094167 0.75 PSMB8 (0.65) PSMB8KEAP1KDM4EALDH1A1GAA
SCHEMBL8704890 0.74 PSMB8 (0.53) PSMB8KEAP1KDM4EALDH1A1GAA

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