SCHEMBL8680574

SCHEMBL8680574

CCCCCN1c2ccccc2C(C)C12Oc1c(cc(OC)cc1[N+](=O)[O-])C=C2C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 3/20 0.32
SCN9A Q15858 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.30

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
SCHEMBL8680042 0.79 CHRM2 (0.35) SCN9AMAPT
SCHEMBL8862490 0.75 DRD2 (0.35) MAPK1ALDH1A1
SCHEMBL10797090 0.73 CBLB (0.37) MAPK1SMN1; SMN2LMNAMAPT
SCHEMBL8680363 0.73 LMNA (0.32) SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL8685117 0.71 MAPK1 (0.38) MAPK1SMN1; SMN2ALDH1A1MAPTRAB9A
SCHEMBL8685259 0.71 SMN1; SMN2 (0.52) MAPK1SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL21582641 0.68 MAPT (0.35) MAPK1SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL8680308 0.65 MAPT (0.40) MAPK1SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL7681567 0.63 MAPT (0.49) MAPK1SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL14261900 0.63 MAPT (0.42) MAPK1SMN1; SMN2ALDH1A1SCN9ALMNA

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