SCHEMBL8680203

SCHEMBL8680203

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GFER P55789 1/20 0.40
RAB9A P51151 1/20 0.36
PDE4D Q08499 1/20 0.32
GAA P10253 2/20 0.31
MAPT P10636 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
S1PR1 P21453 1/20 0.31
LMNA P02545 1/20 0.31
ALPG P10696 1/20 0.31
RECQL P46063 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL8680321 0.91 MEN1 (0.49) MEN1KMT2AGFERPDE4DGAA
SCHEMBL8680935 0.90 MEN1 (0.40) MEN1KMT2AGFERPDE4DGAA
SCHEMBL8680177 0.90 MEN1 (0.40) MEN1KMT2AGFERGAAMAPT
SCHEMBL30612728 0.89 MEN1 (0.40) MEN1KMT2AGFERRAB9APDE4D
SCHEMBL6140160 0.89 MEN1 (0.40) MEN1KMT2AGFERRAB9APDE4D
SCHEMBL30612737 0.88 MAPT (0.42) MEN1KMT2AGFERPDE4DGAA
SCHEMBL8680131 0.88 MAPT (0.42) MEN1KMT2AGFERPDE4DGAA
SCHEMBL8680167 0.87 MEN1 (0.40) MEN1KMT2AGFERGAAMAPT
SCHEMBL8679970 0.85 MEN1 (0.35) MEN1KMT2AGFERPDE4DGAA
SCHEMBL8680361 0.84 TDP1 (0.33) MEN1KMT2AGFERPDE4DGAA

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