SCHEMBL1897664

SCHEMBL1897664

NC1c2ccccccc3ccccc3c21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.48
HPRT1 P00492 2/20 0.44
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 3/20 0.42
CYP2A6 P11509 2/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
KEAP1 Q14145 1/20 0.39
HTR2A P28223 1/20 0.37
HIF1A Q16665 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
WDR5 P61964 1/20 0.36
EPHX1 P07099 1/20 0.36
EGFR P00533 2/20 0.36
ERBB2 P04626 2/20 0.36

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
SCHEMBL29941360 0.91 HPRT1 (0.50) KDM1AHPRT1ALDH1A1HSD17B10CYP2A6
SCHEMBL10685337 0.78 KDM1A (0.42) KDM1AHPRT1ALDH1A1HSD17B10CYP2A6
SCHEMBL8632634 0.68 KDM4E (0.41) KDM1AHPRT1ALDH1A1HSD17B10CYP2A6
SCHEMBL26818332 0.68 KDM1A (0.48) KDM1AHPRT1ALDH1A1HSD17B10CYP2A6
SCHEMBL4377802 0.68 ALDH1A1 (0.85) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL8966049 0.67 ESR1 (0.41) KDM1AHPRT1ALDH1A1HSD17B10CYP2A6
Chrysene SCHEMBL5945256 0.66 HPRT1 (0.93) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL12971879 0.65 KDM1A (1.00) KDM1AHSD17B10CYP2A6CYP3A4HTR2A
SCHEMBL24023063 0.65 KDM1A (0.38) KDM1AHPRT1ALDH1A1HSD17B10CYP2A6
SCHEMBL8850719 0.65 HTR2A (0.60) KDM1AALDH1A1HSD17B10CYP3A4HPGD

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1649857-A2 New use of glutamate antagonists for the treatment of cancer Ikonomidou, Hrissanthi (DE) 2006-04-26 EP claimed
US-20050054650-A1 Use of glutamate antagonists for the treatment of cancer IKONOMIDOU HRISSANTHI (DE) 2005-03-10 US claimed
EP-1124553-A1 NEW USE OF GLUTAMATE ANTAGONISTS FOR THE TREATMENT OF CANCER Ikonomidou, Hrissanthi (DE) 2001-08-22 EP claimed
EP-1002535-A1 New use of glutamate antagonists for the treatment of cancer Ikonomidou, Hrissanthi (DE) 2000-05-24 EP claimed
WO-2000024395-A1 NEW USE OF GLUTAMATE ANTAGONISTS FOR THE TREATMENT OF CANCER IKONOMIDOU HRISSANTHI (DE) 2000-05-04 WO claimed
EP-0850234-A1 NOVEL HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF PAIN AND USE THEREOF BIOCHEM PHARMA INC (CA) 1998-07-01 EP claimed
EP-0840731-A1 POLYCYCLIC ALCALOID-DERIVATIVES AS NMDA-RECEPTOR ANTAGONISTS BIOCHEM PHARMA INC (CA) 1998-05-13 EP claimed
WO-1997003979-A1 POLYCYCLIC ALCALOID-DERIVATIVES AS NMDA-RECEPTOR ANTAGONISTS BIOCHEM PHARMA INC. (CA) 1997-02-06 WO claimed
WO-1997003978-A1 NOVEL HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF PAIN AND USE THEREOF BIOCHEM PHARMA INC. (CA) 1997-02-06 WO claimed
US-20130281523-A1 LOW DOSE CANNABINOID MEDICAMENTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2013-10-24 US disclosed
EP-2640379-A2 LOW DOSE CANNABINOID MEDICAMENTS Pier Pharmaceuticals (US) 2013-09-25 EP disclosed
US-20120231083-A1 SUSTAINED RELEASE CANNABINOID MEDICAMENTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-09-13 US disclosed
WO-2012068516-A2 LOW DOSE CANNABINOID MEDICAMENTS PIER PHARMACEUTICALS (US) 2012-05-24 WO disclosed
US-8178496-B2 Photoreactive regulator of glutamate receptor function and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-15 US disclosed
EP-1002535-A1 New use of glutamate antagonists for the treatment of cancer Ikonomidou, Hrissanthi (DE) 2000-05-24 EP disclosed
WO-2000024395-A1 NEW USE OF GLUTAMATE ANTAGONISTS FOR THE TREATMENT OF CANCER IKONOMIDOU HRISSANTHI (DE) 2000-05-04 WO disclosed
EP-0850234-A1 NOVEL HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF PAIN AND USE THEREOF BIOCHEM PHARMA INC (CA) 1998-07-01 EP disclosed
EP-0840731-A1 POLYCYCLIC ALCALOID-DERIVATIVES AS NMDA-RECEPTOR ANTAGONISTS BIOCHEM PHARMA INC (CA) 1998-05-13 EP disclosed
WO-1997003978-A1 NOVEL HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF PAIN AND USE THEREOF BIOCHEM PHARMA INC. (CA) 1997-02-06 WO disclosed
WO-1997003979-A1 POLYCYCLIC ALCALOID-DERIVATIVES AS NMDA-RECEPTOR ANTAGONISTS BIOCHEM PHARMA INC. (CA) 1997-02-06 WO disclosed