SCHEMBL8680402

SCHEMBL8680402

CCCCCCCCCCCCCCCCN1c2ccccc2C(C)(C)C12C=Cc1c(c(OC)cc([N+](=O)[O-])c1[N+](=O)[O-])O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
GAA P10253 4/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
LMNA P02545 2/20 0.41
RECQL P46063 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PLIN1 O60240 1/20 0.41
THRB P10828 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
PLIN5 Q00G26 1/20 0.41
ABHD5 Q8WTS1 1/20 0.41
PNKP Q96T60 1/20 0.33
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 1/20 0.32
NPSR1 Q6W5P4 3/20 0.32
GPR55 Q9Y2T6 1/20 0.32
ALPG P10696 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
SCHEMBL8682736 0.90 MAPT (0.41) MAPTGAAKMT2AMEN1LMNA
SCHEMBL8680339 0.89 GAA (0.42) MAPTGAAKMT2AMEN1LMNA
SCHEMBL8680227 0.86 MAPT (0.43) MAPTGAAKMT2AMEN1LMNA
SCHEMBL29448327 0.84 MAPT (0.46) MAPTGAAKMT2AMEN1LMNA
SCHEMBL9839763 0.84 MAPT (0.46) MAPTGAAKMT2AMEN1LMNA
SCHEMBL8862475 0.80 MEN1 (0.39) MAPTGAAKMT2AMEN1LMNA
SCHEMBL8684697 0.80 GAA (0.41) MAPTGAAKMT2AMEN1LMNA
SCHEMBL8680712 0.79 TDP1 (0.33) MAPTGAAKMT2AMEN1LMNA
SCHEMBL8680022 0.79 MAPT (0.36) MAPTGAAKMT2AMEN1LMNA
SCHEMBL14261900 0.78 MAPT (0.42) MAPTGAAKMT2AMEN1LMNA

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