SCHEMBL8680500

SCHEMBL8680500

COc1cc([N+](=O)[O-])cc2c1OC1(C=Cc3c(ccc4ccccc34)O1)C(C)=C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 3/20 0.36
TP53 P04637 2/20 0.36
HIF1A Q16665 2/20 0.36
CYP1A2 P05177 1/20 0.36
BRCA1 P38398 1/20 0.36
HNF4A P41235 1/20 0.36
KMT2A Q03164 7/20 0.35
MEN1 O00255 6/20 0.35
KDM4E B2RXH2 4/20 0.35
LMNA P02545 4/20 0.35
MAPT P10636 3/20 0.35
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 2/20 0.35
GLA P06280 1/20 0.35
ALOX5 P09917 2/20 0.34
PTGES O14684 1/20 0.34
PTGS1 P23219 1/20 0.33

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
SCHEMBL8679986 0.86 HTT (0.40) SMN1; SMN2HTTTP53HIF1ACYP1A2
SCHEMBL8681160 0.84 HTT (0.34) SMN1; SMN2HTTTP53HIF1ACYP1A2
SCHEMBL8681788 0.83 HTT (0.33) SMN1; SMN2HTTKMT2AMEN1LMNA
SCHEMBL8685205 0.79 HTT (0.34) SMN1; SMN2HTTTP53HIF1ACYP1A2
SCHEMBL8681177 0.77 MAPT (0.33) SMN1; SMN2HTTHIF1AKMT2AMEN1
SCHEMBL8681771 0.76 MAPT (0.36) SMN1; SMN2HTTCYP1A2KMT2AMEN1
SCHEMBL8862504 0.76 SMN1; SMN2 (0.35) SMN1; SMN2HTTTP53HIF1ACYP1A2
SCHEMBL8862503 0.76 SMN1; SMN2 (0.35) SMN1; SMN2HTTTP53HIF1ACYP1A2
SCHEMBL8680582 0.74 C1R (0.32) KMT2AMEN1GAA
SCHEMBL8680629 0.74 MEN1 (0.46) SMN1; SMN2HTTTP53KMT2AMEN1

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