SCHEMBL8680235

SCHEMBL8680235

COc1cc([N+](=O)[O-])c([N+](=O)[O-])c2c1OC1(C(C)=C2)C(C)c2ccccc2N1c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.35
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 3/20 0.35
PLIN1 O60240 1/20 0.35
PABPC1 P11940 1/20 0.35
PLIN5 Q00G26 1/20 0.35
ABHD5 Q8WTS1 1/20 0.35
TDP1 Q9NUW8 2/20 0.32
MAPK1 P28482 2/20 0.32
POLB P06746 2/20 0.31
DNMT3B Q9UBC3 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
GPR55 Q9Y2T6 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TP53 P04637 1/20 0.30
GAA P10253 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
SCHEMBL8682688 0.83 LMNA (0.34) DNMT3B
SCHEMBL8680363 0.73 LMNA (0.32) MAPTALDH1A1SMN1; SMN2
SCHEMBL8680083 0.73 SMN1; SMN2 (0.32) MAPTALDH1A1SMN1; SMN2
SCHEMBL8680397 0.73 MAPK1 (0.42) MAPTALDH1A1KDM4ETDP1MAPK1
SCHEMBL9156834 0.72 MAPK1 (0.39) MAPTALDH1A1KDM4ETDP1MAPK1
SCHEMBL8680227 0.66 MAPT (0.43) MAPTALDH1A1KDM4EPLIN1PLIN5
SCHEMBL8680619 0.65 MAPT (0.34) MAPTALDH1A1KDM4EPLIN1PABPC1
SCHEMBL8680574 0.64 MAPK1 (0.33) MAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL8680696 0.63 MAPT (0.34) MAPTALDH1A1KDM4EPLIN1PABPC1
SCHEMBL8681128 0.63 MAPT (0.33) MAPTALDH1A1KDM4ETDP1MAPK1

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