SCHEMBL8680293

SCHEMBL8680293

O=[N+]([O-])c1ccc2c3c(ccc2c1)OC1(C=C3)Oc2ccc3cc([N+](=O)[O-])ccc3c2C=C1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
MAPT P10636 6/20 0.35
KMT2A Q03164 5/20 0.35
NPC1 O15118 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
RAB9A P51151 4/20 0.35
MEN1 O00255 4/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
OPRK1 P41145 1/20 0.34
HTT P42858 1/20 0.34
HPGD P15428 2/20 0.33
EIF4A1 P60842 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
ELANE P08246 1/20 0.33

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
SCHEMBL8682558 0.97 PTGS1 (0.39) CYP19A1PTGS1PTGS2MAPTKMT2A
SCHEMBL8685169 0.92 CYP19A1 (0.34) CYP19A1PTGS1PTGS2MAPTKMT2A
SCHEMBL8680370 0.89 NPSR1 (0.32) CYP19A1PTGS1PTGS2MAPTKMT2A
SCHEMBL8682348 0.89 KMT2A (0.34) CYP19A1MAPTKMT2ANPC1SMN1; SMN2
SCHEMBL8680564 0.87 MEN1 (0.36) MAPTKMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL8682553 0.84 MEN1 (0.36) MAPTKMT2ANPC1SMN1; SMN2MEN1
SCHEMBL8680029 0.82 MEN1 (0.33) PTGS1PTGS2MAPTKMT2ANPC1
SCHEMBL8680536 0.82 ALDH1A1 (0.36) PTGS1PTGS2MAPTKMT2ASMN1; SMN2
SCHEMBL8680213 0.80 KDM4E (0.45) CYP19A1PTGS1PTGS2MAPTKMT2A
SCHEMBL8678205 0.79 MEN1 (0.35) MAPTKMT2ANPC1MEN1ALDH1A1

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