SCHEMBL8680465

SCHEMBL8680465

CCC1(C)c2ccccc2N(C)C12C=Cc1c(Br)c([N+](=O)[O-])cc(OC)c1O2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 5/20 0.32
GAA P10253 4/20 0.32
TDP1 Q9NUW8 3/20 0.32
LMNA P02545 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
RECQL P46063 2/20 0.32
ALPG P10696 1/20 0.32
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 2/20 0.32
PLIN1 O60240 1/20 0.31
THRB P10828 1/20 0.31
PKM P14618 1/20 0.31
TSHR P16473 1/20 0.31
PLIN5 Q00G26 1/20 0.31

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
SCHEMBL8680219 0.93 SMN1; SMN2 (0.34) MEN1KMT2ASMN1; SMN2MAPK1MAPT
SCHEMBL8679974 0.90 ALDH1A1 (0.33) MEN1KMT2ASMN1; SMN2MAPK1MAPT
SCHEMBL8680131 0.89 MAPT (0.42) MEN1KMT2ASMN1; SMN2MAPK1MAPT
SCHEMBL30612737 0.89 MAPT (0.42) MEN1KMT2ASMN1; SMN2MAPK1MAPT
SCHEMBL8680767 0.87 TDP1 (0.33) MEN1KMT2ASMN1; SMN2MAPK1MAPT
SCHEMBL8685178 0.86 SMN1; SMN2 (0.33) MEN1KMT2ASMN1; SMN2MAPK1MAPT
SCHEMBL8680353 0.85 MAPK1 (0.33) MEN1KMT2ASMN1; SMN2MAPK1MAPT
SCHEMBL8682736 0.82 MAPT (0.41) MEN1KMT2ASMN1; SMN2MAPK1MAPT
SCHEMBL8680621 0.82 MAPT (0.42) MEN1KMT2ASMN1; SMN2MAPK1MAPT
SCHEMBL8680507 0.82 MAPT (0.38) MEN1KMT2ASMN1; SMN2MAPK1MAPT

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