SCHEMBL8685147

SCHEMBL8685147

COc1cc([N+](=O)[O-])c(Br)c2c1OC1(C=C2)N(C)c2c(Cl)cccc2C1(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
THRB P10828 1/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.30
GFER P55789 1/20 0.30
KMT2A Q03164 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
SCHEMBL8680361 0.93 TDP1 (0.33) LMNAMAPTALDH1A1NPSR1MEN1
SCHEMBL8684897 0.90 MEN1 (0.31) MEN1GFERKMT2A
SCHEMBL8680021 0.90 LMNA (0.37) LMNAMAPTALDH1A1CYP3A4CYP2C9
SCHEMBL8684962 0.89 LMNA (0.33) LMNAMAPTHPGDSMN1; SMN2
SCHEMBL8680135 0.89 LMNA (0.32) LMNAMEN1GFERKMT2A
SCHEMBL8680571 0.89 LMNA (0.31) LMNA
SCHEMBL8681973 0.87 AKR1C3 (0.32) LMNAMAPTALDH1A1MEN1GFER
SCHEMBL8680131 0.85 MAPT (0.42) LMNATHRBMAPTALDH1A1NPSR1
SCHEMBL30612737 0.85 MAPT (0.42) LMNATHRBMAPTALDH1A1NPSR1
SCHEMBL8680132 0.84 PDE4D (0.32) LMNA

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