SCHEMBL8684691

SCHEMBL8684691

C1=CC2(Cc3ccccc3N2)Oc2c1ccc1ccccc21

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
HTT P42858 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
NCOA1 Q15788 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL6140001 0.83 CCR1 (0.33) KDM4EHTTSMN1; SMN2MAPTTP53
SCHEMBL13326506 0.83 CCR1 (0.33) KDM4EHTTSMN1; SMN2MAPTTP53
SCHEMBL6140044 0.79 KDM4E (0.49) KDM4EALDH1A1HPGDHTTCYP1A2
SCHEMBL13326505 0.79 KDM4E (0.49) KDM4EALDH1A1HPGDHTTCYP1A2
SCHEMBL8862981 0.79
SCHEMBL8680347 0.77
SCHEMBL3039164 0.76 HTR2C (0.44) HTTMEN1MAPTKMT2ATP53
SCHEMBL29715758 0.76 HTR2C (0.44) HTTMEN1MAPTKMT2ATP53
SCHEMBL13326508 0.76 HTR2C (0.44) HTTMEN1MAPTKMT2ATP53
SCHEMBL8681958 0.76 KDM4E (0.44) KDM4EALDH1A1HPGDHTTCYP1A2

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