SCHEMBL8682154

SCHEMBL8682154

CCC1(C)c2ccccc2N(c2ccccc2)C12C=Cc1cc([N+](=O)[O-])ccc1O2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
GFER P55789 1/20 0.48
NPSR1 Q6W5P4 3/20 0.44
MAPT P10636 5/20 0.43
GAA P10253 3/20 0.43
LMNA P02545 3/20 0.43
RECQL P46063 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALPG P10696 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HIF1A Q16665 5/20 0.39
EPAS1 Q99814 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
PLIN1 O60240 1/20 0.38
THRB P10828 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL8680705 0.88 MEN1 (0.56) MEN1KMT2AGFERNPSR1MAPT
SCHEMBL8682012 0.88 MEN1 (0.56) MEN1KMT2AGFERNPSR1MAPT
SCHEMBL6426663 0.86 MEN1 (0.47) MEN1KMT2AGFERNPSR1MAPT
SCHEMBL12109892 0.83 MEN1 (0.46) MEN1KMT2AGFERNPSR1MAPT
SCHEMBL8680617 0.80 MEN1 (0.56) MEN1KMT2AGFERNPSR1MAPT
SCHEMBL8685128 0.78 MAPT (0.54) MEN1KMT2AGFERNPSR1MAPT
SCHEMBL13326514 0.78 MAPT (0.54) MEN1KMT2AGFERNPSR1MAPT
SCHEMBL29466131 0.77 MAPT (0.70) MEN1KMT2AGFERNPSR1MAPT
SCHEMBL12922324 0.77 MAPT (0.70) MEN1KMT2AGFERNPSR1MAPT
SCHEMBL29492998 0.77 MAPT (0.70) MEN1KMT2AGFERNPSR1MAPT

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 5 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-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