SCHEMBL8680316

SCHEMBL8680316

COc1cc([N+](=O)[O-])cc2c1OC1(Oc3ccccc3N1C)C(C)=C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.38
MAPK1 P28482 3/20 0.38
MAPT P10636 10/20 0.35
LMNA P02545 4/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
POLB P06746 3/20 0.34
HTT P42858 3/20 0.34
KDM4E B2RXH2 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 3/20 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
SCHEMBL8862445 0.89 SMN1; SMN2 (0.35) SMN1; SMN2MAPK1MAPTLMNAALDH1A1
SCHEMBL8680341 0.89 HTT (0.33) SMN1; SMN2MAPK1MAPTLMNAALDH1A1
SCHEMBL8682305 0.89 ABCB1 (0.33) SMN1; SMN2MAPK1MAPTMEN1KMT2A
SCHEMBL8862503 0.84 SMN1; SMN2 (0.35) SMN1; SMN2MAPK1MAPTLMNAALDH1A1
SCHEMBL8862504 0.84 SMN1; SMN2 (0.35) SMN1; SMN2MAPK1MAPTLMNAALDH1A1
SCHEMBL8682306 0.82 HTT (0.32) SMN1; SMN2MAPK1HTT
SCHEMBL8685117 0.82 MAPK1 (0.38) SMN1; SMN2MAPK1MAPTALDH1A1MEN1
SCHEMBL2535787 0.82 MEN1 (0.41) SMN1; SMN2MAPK1MAPTALDH1A1MEN1
SCHEMBL8680552 0.80 SMN1; SMN2 (0.50) SMN1; SMN2MAPK1MAPTLMNAALDH1A1
SCHEMBL8680050 0.79 SMN1; SMN2 (0.37) SMN1; SMN2MAPK1MAPTLMNAALDH1A1

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