SCHEMBL8680754

SCHEMBL8680754

CC(=O)Nc1ccc2c(c1)SC1(Oc3ccc([N+](=O)[O-])cc3C=C1C)N2C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 5/20 0.38
MEN1 O00255 3/20 0.38
GFER P55789 1/20 0.38
HSPA9 P38646 5/20 0.38
MAPT P10636 4/20 0.37
GAA P10253 3/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HSP90AA1 P07900 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL8680938 0.87 MEN1 (0.38) KMT2AMEN1GFERMAPTPKM
SCHEMBL8680299 0.84 POLB (0.34) SMN1; SMN2KMT2AMEN1GFERHSPA9
SCHEMBL8680281 0.83 MAPT (0.41) SMN1; SMN2KMT2AMEN1MAPTGAA
SCHEMBL8680419 0.83 MEN1 (0.36) KMT2AMEN1GFERMAPTALDH1A1
SCHEMBL8678921 0.81 SNCA (0.38) SMN1; SMN2KMT2AMEN1GFERMAPT
SCHEMBL8685181 0.81 SNCA (0.50) SMN1; SMN2KMT2AMEN1GFERMAPT
SCHEMBL8680463 0.81 MEN1 (0.35) KMT2AMEN1GFERMAPT
SCHEMBL8680439 0.81 SNCA (0.40) SMN1; SMN2KMT2AMEN1GFERMAPT
SCHEMBL8680928 0.72 SNCA (0.41) SMN1; SMN2KMT2AMEN1MAPTPKM
SCHEMBL8680101 0.72 SNCA (0.37) SMN1; SMN2KMT2AMEN1GFERMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5759729-A A DRY TONER COMPRISING A RESIN, PHOTOCHROMATIC SPIROPYRAN, -OXAZINE OR -THIOPYRAN DYE AND A CHARGE CONTROL AGENT;ELECTROGRAPHY; XEROGRAPHY XEROX CORPORATION (US) 1998-06-02 US disclosed
US-5710420-A Method for embedding and recovering machine-readable information XEROX CORPORATION (US) 1998-01-20 US disclosed
US-5633109-A Ink compositions with liposomes containing photochromic compounds XEROX CORPORATION (US) 1997-05-27 US disclosed
US-5593486-A Photochromic hot melt ink compositions XEROX CORPORATION (US) 1997-01-14 US disclosed
US-5551973-A LIQUID CRYSTAL GEL PHASE, MICROEMULSION PHASE XEROX CORPORATION (US) 1996-09-03 US disclosed