SCHEMBL8680439

SCHEMBL8680439

CC1=Cc2cc(Br)ccc2OC12Sc1cc([N+](=O)[O-])ccc1N2C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 5/20 0.40
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GFER P55789 1/20 0.36
P2RY6 Q15077 1/20 0.35
ALDH1A1 P00352 4/20 0.33
LMNA P02545 3/20 0.33
CYP3A4 P08684 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 2/20 0.32
CASP1 P29466 1/20 0.32
CASP3 P42574 1/20 0.32
CASP4 P49662 1/20 0.32
CASP7 P55210 1/20 0.32
CASP9 P55211 1/20 0.32
CASP6 P55212 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
SCHEMBL8680938 0.93 MEN1 (0.38) SNCAMEN1KMT2AGFERALDH1A1
SCHEMBL8680866 0.88
SCHEMBL8680419 0.86 MEN1 (0.36) SNCAMEN1KMT2AGFERALDH1A1
SCHEMBL8678921 0.84 SNCA (0.38) SNCAMEN1KMT2AGFERLMNA
SCHEMBL8685181 0.84 SNCA (0.50) SNCAMEN1KMT2AGFERALDH1A1
SCHEMBL8680463 0.84 MEN1 (0.35) SNCAMEN1KMT2AGFERL3MBTL1
SCHEMBL8680411 0.82 NPSR1 (0.33) MEN1KMT2ALMNAMAPTTDP1
SCHEMBL8681148 0.81
SCHEMBL8680545 0.81 PAX8 (0.32) SNCAMEN1KMT2ALMNAMAPT
SCHEMBL8680754 0.81 SMN1; SMN2 (0.40) MEN1KMT2AGFERALDH1A1LMNA

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