SCHEMBL8202870

SCHEMBL8202870

Cn1ccc(C=C2OC(=S)NC2=O)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
GPR35 Q9HC97 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
EP300 Q09472 1/20 0.33
IDH1 O75874 2/20 0.32

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
SCHEMBL8202862 1.00 MEN1 (0.37) MEN1KMT2ANPC1RAB9AGPR35
SCHEMBL6618504 0.76 MEN1 (0.61) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL8186775 0.73 PTGS2 (0.42) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL8186770 0.73 PTGS2 (0.42) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL13017825 0.73 MEN1 (0.58) MEN1KMT2ANPC1RAB9AGPR35
SCHEMBL8182128 0.73 ALDH1A1 (0.57) NPC1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL8182127 0.73 ALDH1A1 (0.57) NPC1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL8180274 0.71 SIRT2 (0.56) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL8180272 0.71 SIRT2 (0.56) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL8188189 0.70 MEN1 (0.54) MEN1KMT2ANPC1ALDH1A1LMNA

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