SCHEMBL8685117

SCHEMBL8685117

COc1cc2c(c([N+](=O)[O-])c1)OC1(Oc3ccccc3N1C)C(C)=C2

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 3/20 0.37
POLB P06746 2/20 0.34
DNMT3B Q9UBC3 4/20 0.34
CYP19A1 P11511 1/20 0.34
MAPT P10636 3/20 0.33
RAB9A P51151 1/20 0.33
NQO1 P15559 1/20 0.33
HTR7 P34969 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL8680320 0.86 MAPK1 (0.39) MAPK1SMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL8680368 0.83 MAPT (0.47) MAPK1SMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL8680316 0.82 SMN1; SMN2 (0.38) MAPK1SMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL8685259 0.79 SMN1; SMN2 (0.52) MAPK1SMN1; SMN2ALDH1A1POLBCYP19A1
SCHEMBL2535787 0.75 MEN1 (0.41) MAPK1SMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL8685200 0.74 MAPT (0.41) MAPK1SMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL8862445 0.73 SMN1; SMN2 (0.35) MAPK1SMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL8680574 0.71 MAPK1 (0.33) MAPK1SMN1; SMN2ALDH1A1MAPTRAB9A
SCHEMBL8682305 0.71 ABCB1 (0.33) MAPK1SMN1; SMN2CYP19A1MAPTMEN1
SCHEMBL7681567 0.71 MAPT (0.49) MAPK1SMN1; SMN2ALDH1A1POLBCYP19A1

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