SCHEMBL8679402

SCHEMBL8679402

COc1ccc2c(c1)C(C)(C)C1(C=Cc3cc(Cl)cc([N+](=O)[O-])c3O1)N2C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GFER P55789 2/20 0.46
MAPT P10636 11/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
GAA P10253 4/20 0.38
RECQL P46063 4/20 0.38
LMNA P02545 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
THRB P10828 3/20 0.38
PLIN1 O60240 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
PLIN5 Q00G26 1/20 0.38
ABHD5 Q8WTS1 1/20 0.38
ALDH1A1 P00352 8/20 0.38
MAPK1 P28482 4/20 0.38
NPSR1 Q6W5P4 2/20 0.37
ALPG P10696 1/20 0.37
TP53 P04637 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
SCHEMBL8679958 0.92 MEN1 (0.47) MEN1KMT2AGFERMAPTSMN1; SMN2
SCHEMBL8685146 0.91 MEN1 (0.48) MEN1KMT2AGFERMAPTSMN1; SMN2
SCHEMBL8680717 0.90 MEN1 (0.45) MEN1KMT2AGFERMAPTSMN1; SMN2
SCHEMBL8680667 0.89 MEN1 (0.49) MEN1KMT2AGFERMAPTSMN1; SMN2
SCHEMBL8684871 0.88 MEN1 (0.58) MEN1KMT2AGFERMAPTSMN1; SMN2
SCHEMBL8680103 0.87 MEN1 (0.46) MEN1KMT2AGFERMAPTSMN1; SMN2
SCHEMBL8680579 0.86 MEN1 (0.46) MEN1KMT2AGFERMAPTSMN1; SMN2
SCHEMBL8680939 0.86 MAPT (0.41) MEN1KMT2AGFERMAPTSMN1; SMN2
SCHEMBL8679997 0.85 MEN1 (0.55) MEN1KMT2AGFERMAPTSMN1; SMN2
SCHEMBL8680655 0.85 MAPT (0.52) 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