SCHEMBL8680552

SCHEMBL8680552

COc1cc([N+](=O)[O-])cc2c1OC1(C(C)=C2)N(C)c2ccccc2C1(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
MAPK1 P28482 3/20 0.50
MAPT P10636 11/20 0.41
ALDH1A1 P00352 5/20 0.35
LMNA P02545 4/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
HTT P42858 4/20 0.34
KDM4E B2RXH2 3/20 0.34
ATM Q13315 1/20 0.34
GAA P10253 3/20 0.32
RECQL P46063 3/20 0.32
THRB P10828 2/20 0.32
HPGD P15428 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ALOX12 P18054 1/20 0.32
POLB P06746 1/20 0.32
ALPG P10696 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
SCHEMBL8681134 0.87 SMN1; SMN2 (0.48) SMN1; SMN2MAPK1MAPTALDH1A1LMNA
SCHEMBL8685160 0.86 SMN1; SMN2 (0.65) SMN1; SMN2MAPK1MAPTALDH1A1LMNA
SCHEMBL8684766 0.85 SMN1; SMN2 (0.52) SMN1; SMN2MAPK1MAPTALDH1A1LMNA
SCHEMBL8685259 0.83 SMN1; SMN2 (0.52) SMN1; SMN2MAPK1MAPTALDH1A1LMNA
SCHEMBL8680559 0.82 MAPT (0.41) SMN1; SMN2MAPK1MAPTALDH1A1LMNA
SCHEMBL8680397 0.81 MAPK1 (0.42) SMN1; SMN2MAPK1MAPTALDH1A1LMNA
SCHEMBL8680356 0.81 SMN1; SMN2 (0.41) SMN1; SMN2MAPK1MAPTALDH1A1LMNA
SCHEMBL8685173 0.81 MAPK1 (0.41) SMN1; SMN2MAPK1MAPTALDH1A1LMNA
SCHEMBL8680025 0.81 SMN1; SMN2 (0.47) SMN1; SMN2MAPK1MAPTALDH1A1LMNA
SCHEMBL9156834 0.80 MAPK1 (0.39) SMN1; SMN2MAPK1MAPTALDH1A1LMNA

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