SCHEMBL8685205

SCHEMBL8685205

COc1cccc2c1OC1(C=C2)Oc2ccc3cc([N+](=O)[O-])ccc3c2C=C1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.34
MEN1 O00255 7/20 0.33
KMT2A Q03164 7/20 0.33
MAPT P10636 7/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
LMNA P02545 3/20 0.33
HPGD P15428 2/20 0.33
MAOB P27338 2/20 0.33
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ALDH1A1 P00352 5/20 0.32
RAB9A P51151 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
PTPN7 P35236 1/20 0.32
DUSP3 P51452 1/20 0.32
BLM P54132 1/20 0.32
MCL1 Q07820 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
SCHEMBL8681160 0.93 HTT (0.34) HTTMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8681771 0.86 MAPT (0.36) HTTMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8681788 0.83 HTT (0.33) HTTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL8682553 0.83 MEN1 (0.36) HTTMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8681177 0.83 MAPT (0.33) HTTMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8680536 0.83 ALDH1A1 (0.36) HTTMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8680582 0.80 C1R (0.32) MEN1KMT2APOLB
SCHEMBL8680500 0.79 SMN1; SMN2 (0.36) HTTMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8681149 0.76 TLR2 (0.36) HTTMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8680591 0.76 MAPT (0.35) HTTMEN1KMT2AMAPTSMN1; 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