SCHEMBL8680232

SCHEMBL8680232

COc1cc2cccc([N+](=O)[O-])c2c2c1OC1(C=C2)C=Cc2c(c(OC)cc3cccc([N+](=O)[O-])c23)O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
PDE4D Q08499 1/20 0.39
LMNA P02545 5/20 0.38
L3MBTL1 Q9Y468 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
BRCA1 P38398 1/20 0.36
HNF4A P41235 1/20 0.36
HIF1A Q16665 1/20 0.36
CYP19A1 P11511 1/20 0.34
MAPT P10636 4/20 0.33
MCL1 Q07820 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
NPC1 O15118 1/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL8681104 0.84 TSHR (0.38) ALDH1A1TDP1L3MBTL1SMN1; SMN2CYP1A2
SCHEMBL8680581 0.80 MAPT (0.41) ALDH1A1TDP1PDE4DLMNAL3MBTL1
SCHEMBL8685222 0.75 HTT (0.45) ALDH1A1TDP1PDE4DLMNASMN1; SMN2
SCHEMBL8680122 0.75 ALDH1A1 (0.39) ALDH1A1TDP1LMNAL3MBTL1SMN1; SMN2
SCHEMBL8680951 0.73 PDE4D (0.43) ALDH1A1PDE4DLMNAL3MBTL1SMN1; SMN2
SCHEMBL8680450 0.71 ALDH1A1 (0.38) ALDH1A1TDP1L3MBTL1SMN1; SMN2TP53
SCHEMBL8680039 0.68 LMNA (0.38) ALDH1A1TDP1PDE4DLMNASMN1; SMN2
SCHEMBL426021 0.67 ALDH1A1 (0.56) ALDH1A1TDP1LMNAL3MBTL1SMN1; SMN2
SCHEMBL27865903 0.65 ALDH1A1 (0.61) ALDH1A1TDP1LMNAL3MBTL1SMN1; SMN2
SCHEMBL15803233 0.64 ALDH1A1 (0.51) ALDH1A1TDP1LMNAL3MBTL1SMN1; SMN2

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