SCHEMBL8680299

SCHEMBL8680299

C=C(C)C(=O)Nc1ccc2c(c1)N(C)C1(Oc3ccc([N+](=O)[O-])cc3C=C1C)S2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
APAF1 O14727 1/20 0.33
MCL1 Q07820 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
MEN1 O00255 6/20 0.33
KMT2A Q03164 6/20 0.33
GFER P55789 1/20 0.33
HSPA9 P38646 4/20 0.33
GRK2 P25098 1/20 0.32
RAB9A P51151 5/20 0.32
MAPT P10636 5/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MAPK1 P28482 3/20 0.32
NPC1 O15118 3/20 0.32
LMNA P02545 2/20 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
SCHEMBL8680281 0.87 MAPT (0.41) POLBMEN1KMT2ARAB9AMAPT
SCHEMBL8680754 0.84 SMN1; SMN2 (0.40) POLBMEN1KMT2AGFERHSPA9
SCHEMBL8678921 0.79 SNCA (0.38) L3MBTL1MEN1KMT2AGFERRAB9A
SCHEMBL8680938 0.79 MEN1 (0.38) POLBL3MBTL1TDP1MEN1KMT2A
SCHEMBL8680419 0.74 MEN1 (0.36) L3MBTL1RECQLTDP1MCL1MEN1
SCHEMBL8680463 0.73 MEN1 (0.35) L3MBTL1MEN1KMT2AGFERRAB9A
SCHEMBL8685181 0.73 SNCA (0.50) L3MBTL1TDP1MEN1KMT2AGFER
SCHEMBL8680439 0.72 SNCA (0.40) L3MBTL1TDP1MEN1KMT2AGFER
SCHEMBL12496803 0.71 MEN1 (0.65) POLBL3MBTL1RECQLBLMTDP1
SCHEMBL8684837 0.70 SNCA (0.36) L3MBTL1MEN1KMT2AGFERRAB9A

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