SCHEMBL8680928

SCHEMBL8680928

COc1cc([N+](=O)[O-])cc2c1OC1(Sc3cc([N+](=O)[O-])ccc3N1C)C(C)=C2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SNCA P37840 3/20 0.41
HTT P42858 3/20 0.38
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 6/20 0.35
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
MAPK1 P28482 3/20 0.35
ALDH1A1 P00352 3/20 0.35
PKM P14618 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 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
SCHEMBL8680017 0.92 SNCA (0.44) SNCAHTTTDP1LMNAMAPT
SCHEMBL8680669 0.91 SNCA (0.33) SNCAHTTMAPTSMN1; SMN2MAPK1
SCHEMBL8682623 0.91 SNCA (0.36) SNCAHTTTDP1LMNAMAPT
SCHEMBL8682739 0.91 SMN1; SMN2 (0.33) SNCAHTTLMNAMAPTSMN1; SMN2
SCHEMBL8680050 0.90 SMN1; SMN2 (0.37) SNCAHTTLMNAMAPTSMN1; SMN2
SCHEMBL8684682 0.90 SNCA (0.32) SNCAHTTMAPTSMN1; SMN2MAPK1
SCHEMBL31408943 0.90 SNCA (0.32) SNCAHTTMAPTSMN1; SMN2MAPK1
SCHEMBL8680614 0.89 MEN1 (0.38) SNCAMAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL8680317 0.89 ABCC9 (0.33) SNCAHTTLMNAMAPTALDH1A1
SCHEMBL8681215 0.85 HTT (0.33) SNCAHTTTDP1LMNAMAPT

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 6 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 claimed
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