SCHEMBL8895090

SCHEMBL8895090

CO/N=C(/C(=O)Cl)c1csc(N)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
LMNA P02545 3/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
NR1I2 O75469 4/20 0.45
PGR P06401 1/20 0.45
PTGS2 P35354 1/20 0.45
ITGB1 P05556 2/20 0.44
ITGA4 P13612 2/20 0.44
HTR2C P28335 1/20 0.42
ALB P02768 1/20 0.40
PPARG P37231 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40
SLC22A11 Q9NSA0 1/20 0.40
PTGS1 P23219 1/20 0.40

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
SCHEMBL7027843 1.00 MAPT (0.48) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL8872097 1.00 MAPT (0.48) MAPTLMNAGAAALDH1A1MEN1
Hydrochloric Acid SCHEMBL3135041 0.98 MAPT (0.49) MAPTLMNAGAAALDH1A1MEN1
Hydrochloric Acid SCHEMBL5340165 0.98 MAPT (0.49) MAPTLMNAGAAALDH1A1MEN1
Hydrochloric Acid SCHEMBL3135045 0.98 MAPT (0.49) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL8057321 0.86 MAPT (0.44) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL3929244 0.86 MAPT (0.48) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL19236061 0.86 MAPT (0.48) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL9982497 0.86 MAPT (0.48) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL968132 0.86 MAPT (0.59) MAPTLMNAGAAALDH1A1MEN1

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-1997042170-A1 A PROCESS FOR THE PREPARATION OF AZETIDINONES BIOCHIMICA OPOS S.P.A. (IT) 1997-11-13 WO disclosed