SCHEMBL8680257

SCHEMBL8680257

COc1cc([N+](=O)[O-])c([N+](=O)[O-])c2c1OC1(C=C2)N(C)c2ccc(Cl)cc2C1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GFER P55789 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
MAPT P10636 4/20 0.32
LMNA P02545 4/20 0.32
GAA P10253 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
ALPG P10696 1/20 0.32
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPK1 P28482 3/20 0.31
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL8682626 0.91 MEN1 (0.49) MEN1KMT2AGFERSMN1; SMN2MAPT
SCHEMBL30612728 0.90 MEN1 (0.40) MEN1KMT2AGFERSMN1; SMN2NPC1
SCHEMBL6140160 0.90 MEN1 (0.40) MEN1KMT2AGFERSMN1; SMN2NPC1
SCHEMBL8680155 0.90 MEN1 (0.41) MEN1KMT2AGFERSMN1; SMN2HPGD
SCHEMBL8680566 0.90 MEN1 (0.41) MEN1KMT2AGFERMAPTLMNA
SCHEMBL8680048 0.89 MEN1 (0.41) MEN1KMT2AGFERSMN1; SMN2NPC1
SCHEMBL8680868 0.88 MEN1 (0.35) MEN1KMT2AGFERLMNAHTT
SCHEMBL8680227 0.88 MAPT (0.43) MEN1KMT2AGFERSMN1; SMN2HPGD
SCHEMBL8682065 0.86 MEN1 (0.40) MEN1KMT2AGFERSMN1; SMN2NPC1
SCHEMBL8680022 0.85 MAPT (0.36) MEN1KMT2AGFERSMN1; SMN2NPC1

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