SCHEMBL8680241

SCHEMBL8680241

COc1cc2c(c([N+](=O)[O-])c1)OC1(C=C2)N(C)c2cc(C)ccc2C1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
GFER P55789 1/20 0.40
MAPT P10636 8/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
GAA P10253 4/20 0.39
LMNA P02545 4/20 0.39
RECQL P46063 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
THRB P10828 3/20 0.39
TSHR P16473 2/20 0.39
PLIN1 O60240 1/20 0.39
PKM P14618 1/20 0.39
PLIN5 Q00G26 1/20 0.39
ABHD5 Q8WTS1 1/20 0.39
NPSR1 Q6W5P4 2/20 0.37
ALPG P10696 1/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL8680579 0.93 MEN1 (0.46) MEN1KMT2AGFERMAPTSMN1; SMN2
SCHEMBL7681567 0.89 MAPT (0.49) MEN1KMT2AGFERMAPTSMN1; SMN2
SCHEMBL8679958 0.87 MEN1 (0.47) MEN1KMT2AGFERMAPTSMN1; SMN2
SCHEMBL8679997 0.86 MEN1 (0.55) MEN1KMT2AGFERMAPTSMN1; SMN2
SCHEMBL8680717 0.85 MEN1 (0.45) MEN1KMT2AGFERMAPTSMN1; SMN2
SCHEMBL8680679 0.85 MEN1 (0.45) MEN1KMT2AGFERMAPTSMN1; SMN2
SCHEMBL8679952 0.85 MEN1 (0.45) MEN1KMT2AGFERMAPTSMN1; SMN2
SCHEMBL8680492 0.84 MEN1 (0.43) MEN1KMT2AGFERMAPTSMN1; SMN2
SCHEMBL8684860 0.83 MEN1 (0.43) MEN1KMT2AGFERMAPTSMN1; SMN2
SCHEMBL8679973 0.83 MAPT (0.38) MEN1KMT2AGFERMAPTSMN1; SMN2

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