SCHEMBL8680696

SCHEMBL8680696

COc1cc([N+](=O)[O-])c2c(c1Br)C=CC1(O2)N(c2ccccc2)c2ccccc2C1(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.34
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 4/20 0.34
PLIN1 O60240 2/20 0.34
PLIN5 Q00G26 2/20 0.34
ABHD5 Q8WTS1 2/20 0.34
PABPC1 P11940 1/20 0.34
POLB P06746 3/20 0.34
SMN1; SMN2 Q16637 6/20 0.33
NPSR1 Q6W5P4 4/20 0.33
GAA P10253 4/20 0.33
TDP1 Q9NUW8 4/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
LMNA P02545 4/20 0.33
RECQL P46063 3/20 0.33
THRB P10828 3/20 0.33
TP53 P04637 2/20 0.33
MAPK1 P28482 2/20 0.33
GPR55 Q9Y2T6 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
SCHEMBL8680619 0.93 MAPT (0.34) MAPTALDH1A1KDM4EPLIN1PLIN5
SCHEMBL8680621 0.90 MAPT (0.42) MAPTALDH1A1KDM4EPLIN1PLIN5
SCHEMBL8684888 0.85 TDP1 (0.34) MAPTALDH1A1KDM4EPLIN1PLIN5
SCHEMBL8682111 0.83 SMN1; SMN2 (0.34) MAPTALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL8680131 0.83 MAPT (0.42) MAPTALDH1A1KDM4EPLIN1PLIN5
SCHEMBL30612737 0.83 MAPT (0.42) MAPTALDH1A1KDM4EPLIN1PLIN5
SCHEMBL8680992 0.82 MAPT (0.43) MAPTALDH1A1KDM4EPLIN1PLIN5
SCHEMBL8680162 0.82 MEN1 (0.40) MAPTKDM4EPOLBNPSR1GAA
SCHEMBL8680219 0.81 SMN1; SMN2 (0.34) MAPTALDH1A1KDM4EPLIN1PLIN5
SCHEMBL8684873 0.81 PDCD1 (0.32) MAPTALDH1A1KDM4EPOLBTDP1

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