SCHEMBL8207266

SCHEMBL8207266

O=C1NC(=S)OC1=Cc1c[nH]c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
GAA P10253 1/20 0.53
GPR55 Q9Y2T6 1/20 0.53
TRPM8 Q7Z2W7 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
PIK3CA P42336 1/20 0.46
MTOR P42345 1/20 0.46
LTA4H P09960 2/20 0.46
PLA2G2A P14555 2/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
NTRK1 P04629 2/20 0.45
PRKD3 O94806 1/20 0.45
ABL1 P00519 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
SCHEMBL8207262 1.00 ACHE (0.55) ACHEMEN1KMT2AGAAGPR55
SCHEMBL8183861 0.78 SIRT1 (0.64) MAOAMAOBADAMTS5MMP13MMP3
SCHEMBL8183862 0.78 SIRT1 (0.64) MAOAMAOBADAMTS5MMP13MMP3
SCHEMBL5576896 0.78 NTRK1 (0.51) MEN1KMT2AGAAMAPTKDM4E
SCHEMBL1249365 0.78 PTPN1 (0.69) ACHEMEN1KMT2AKDM4EMAOA
SCHEMBL5475436 0.78 NTRK1 (0.74) ACHEMEN1KMT2AGAAGPR55
SCHEMBL14448938 0.78 NTRK1 (0.74) ACHEMEN1KMT2AGAAGPR55
SCHEMBL12891965 0.78 PTPN1 (0.69) ACHEMEN1KMT2AKDM4EMAOA
SCHEMBL5475438 0.78 NTRK1 (0.74) ACHEMEN1KMT2AGAAGPR55
SCHEMBL1249362 0.78 PTPN1 (0.69) ACHEMEN1KMT2AKDM4EMAOA

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-2000018745-A1 OXAZOLIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS ROCHE DIAGNOSTICS GMBH (DE) 2000-04-06 WO disclosed