SCHEMBL8682159

SCHEMBL8682159

CC1=Cc2cc([N+](=O)[O-])ccc2OC12C=Cc1ccccc1O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 1/20 0.41
HIF1A Q16665 5/20 0.39
EPAS1 Q99814 5/20 0.39
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
GFER P55789 1/20 0.38
TLR3 O15455 1/20 0.36
POLB P06746 2/20 0.36
CASP6 P55212 1/20 0.36
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALPL P05186 1/20 0.34
ACHE P22303 2/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL8681771 0.84 MAPT (0.36) MEN1KMT2AMAPTHTTGFER
SCHEMBL8679986 0.83 HTT (0.40) MEN1KMT2AMAPTHTTHIF1A
SCHEMBL8685175 0.80 HTR2C (0.42) MEN1KMT2AMAPTHTTTSHR
SCHEMBL8684835 0.79 MEN1 (0.43) MEN1KMT2AMAPTHTTHIF1A
SCHEMBL9151094 0.77 TSHR (0.43) MEN1KMT2AMAPTHTTCA9
SCHEMBL11596337 0.77 MEN1 (0.42) MEN1KMT2AMAPTHTTHIF1A
SCHEMBL8680198 0.75 L3MBTL1 (0.42) MEN1KMT2AMAPTHTTCA9
SCHEMBL2535787 0.75 MEN1 (0.41) MEN1KMT2AMAPTHTTCA9
SCHEMBL8685185 0.74 DRD5 (0.34) MEN1KMT2AMAPTHTTHIF1A
SCHEMBL8680680 0.74 P2RY6 (0.34) MEN1KMT2AHIF1AEPAS1CA9

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 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-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