SCHEMBL8680494

SCHEMBL8680494

CC(C)CCN1c2ccc([N+](=O)[O-])cc2C(C)(C)C12C=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
GFER P55789 1/20 0.46
MAPK1 P28482 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 5/20 0.33
GAA P10253 5/20 0.33
TDP1 Q9NUW8 4/20 0.33
LMNA P02545 2/20 0.33
RECQL P46063 2/20 0.33
PLIN1 O60240 1/20 0.33
THRB P10828 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
PLIN5 Q00G26 1/20 0.33
ABHD5 Q8WTS1 1/20 0.33
HIF1A Q16665 2/20 0.32
EPAS1 Q99814 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
ALPG P10696 1/20 0.32

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
SCHEMBL8681170 0.91 SMN1; SMN2 (0.46) MEN1KMT2AGFERMAPK1SMN1; SMN2
SCHEMBL8682051 0.85 MEN1 (0.60) MEN1KMT2AGFERMAPK1SMN1; SMN2
SCHEMBL8862475 0.81 MEN1 (0.39) MEN1KMT2AGFERSMN1; SMN2MAPT
SCHEMBL8862747 0.80 SMN1; SMN2 (0.48) MEN1KMT2AGFERMAPK1SMN1; SMN2
SCHEMBL8680979 0.80 MAPT (0.55) MEN1KMT2AGFERMAPK1SMN1; SMN2
SCHEMBL8681025 0.80 SMN1; SMN2 (0.47) MEN1KMT2AGFERMAPK1SMN1; SMN2
SCHEMBL8679957 0.78 SMN1; SMN2 (0.47) MEN1KMT2AGFERMAPK1SMN1; SMN2
SCHEMBL8684871 0.78 MEN1 (0.58) MEN1KMT2AGFERMAPK1SMN1; SMN2
SCHEMBL4581135 0.77 MEN1 (0.50) MEN1KMT2AGFERMAPK1SMN1; SMN2
SCHEMBL8680214 0.76 MAPT (0.45) MEN1KMT2AGFERMAPK1SMN1; 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 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 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