SCHEMBL8680208

SCHEMBL8680208

CN1c2ccc(Br)cc2C(C)(C)C12C=Cc1cc([N+](=O)[O-])ccc1O2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.70
KMT2A Q03164 6/20 0.70
GFER P55789 1/20 0.70
MAPT P10636 6/20 0.52
GAA P10253 4/20 0.52
NPSR1 Q6W5P4 3/20 0.52
LMNA P02545 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
RECQL P46063 2/20 0.52
ALPG P10696 1/20 0.52
TP53 P04637 1/20 0.52
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
PLIN1 O60240 1/20 0.37
THRB P10828 1/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
PLIN5 Q00G26 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ABHD5 Q8WTS1 1/20 0.37

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
SCHEMBL8682544 0.96 MEN1 (0.73) MEN1KMT2AGFERMAPTGAA
SCHEMBL8680133 0.92 MEN1 (0.80) MEN1KMT2AGFERMAPTGAA
SCHEMBL8682035 0.88 MEN1 (0.71) MEN1KMT2AGFERMAPTGAA
SCHEMBL8684928 0.87 MEN1 (0.70) MEN1KMT2AGFERMAPTGAA
SCHEMBL8680190 0.87 MEN1 (0.70) MEN1KMT2AGFERMAPTGAA
SCHEMBL38652522 0.87 MEN1 (0.70) MEN1KMT2AGFERMAPTGAA
SCHEMBL4580154 0.87 MEN1 (0.70) MEN1KMT2AGFERMAPTGAA
SCHEMBL29466131 0.86 MAPT (0.70) MEN1KMT2AGFERMAPTGAA
SCHEMBL12922324 0.86 MAPT (0.70) MEN1KMT2AGFERMAPTGAA
SCHEMBL79311 0.86 MAPT (0.70) MEN1KMT2AGFERMAPTGAA

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