SCHEMBL8779305

SCHEMBL8779305

CC(=O)Oc1cccc(C)c1.Nc1nnc(S)s1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 3/20 0.43
CYP3A4 P08684 1/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
ACHE P22303 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
BCHE P06276 1/20 0.39
PPARG P37231 1/20 0.39
ADORA2A P29274 1/20 0.39
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAOB P27338 1/20 0.37

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
SCHEMBL8779346 0.84 LMNA (0.57) LMNAMAPTPOLBKMT2AMEN1
SCHEMBL8779376 0.81 ALDH1A1 (0.41) LMNAKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL280618 0.78 LMNA (1.00) LMNAMAPTPOLBKMT2ACYP3A4
SCHEMBL30638434 0.78 LMNA (1.00) LMNAMAPTPOLBKMT2ACYP3A4
SCHEMBL8779352 0.78 NR3C1 (0.44) CYP3A4ALDH1A1ACHESMN1; SMN2
Ammonia Solution, Strong SCHEMBL27920738 0.77 LMNA (0.96) LMNAMAPTPOLBKMT2ACYP3A4
SCHEMBL27808382 0.77 LMNA (0.96) LMNAMAPTPOLBKMT2ACYP3A4
SCHEMBL27808339 0.77 LMNA (0.96) LMNAMAPTPOLBKMT2ACYP3A4
Metacresol SCHEMBL8779348 0.76 ACHE (0.53) LMNAMAPTPOLBKMT2AMEN1
SCHEMBL8779375 0.76 TOP1 (0.37) LMNAMAPTPOLBKMT2AMEN1

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-0579129-B1 Thiadiazole derivatives for the treatment of depressive states CT LAB FARM SRL (IT) 1997-03-05 EP claimed