SCHEMBL8680341

SCHEMBL8680341

COc1cc([N+](=O)[O-])cc2c1OC1(Oc3ccc(C)cc3N1C)C(C)=C2

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.33
LMNA P02545 3/20 0.32
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MAPK1 P28482 2/20 0.32
PKM P14618 2/20 0.32
MAPT P10636 4/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31
ERN1 O75460 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL8680316 0.89 SMN1; SMN2 (0.38) HTTLMNAALDH1A1SMN1; SMN2MAPK1
SCHEMBL8682305 0.88 ABCB1 (0.33) SMN1; SMN2MAPK1MAPTMEN1KMT2A
SCHEMBL8862445 0.86 SMN1; SMN2 (0.35) HTTLMNAALDH1A1SMN1; SMN2MAPK1
SCHEMBL8682306 0.86 HTT (0.32) HTTSMN1; SMN2MAPK1ERN1
SCHEMBL8683886 0.83 MEN1 (0.37) HTTLMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL8862504 0.80 SMN1; SMN2 (0.35) HTTLMNAALDH1A1SMN1; SMN2MAPK1
SCHEMBL8862503 0.80 SMN1; SMN2 (0.35) HTTLMNAALDH1A1SMN1; SMN2MAPK1
SCHEMBL8685200 0.77 MAPT (0.41) LMNAALDH1A1SMN1; SMN2MAPK1MAPT
SCHEMBL8684860 0.74 MEN1 (0.43) HTTLMNAALDH1A1SMN1; SMN2MAPK1
SCHEMBL8680552 0.73 SMN1; SMN2 (0.50) HTTLMNAALDH1A1SMN1; SMN2MAPK1

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