SCHEMBL996633

SCHEMBL996633

CN(C=O)CCc1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
TSHR P16473 4/20 0.51
POLB P06746 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HSD17B10 Q99714 1/20 0.49
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
RECQL P46063 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
HRH1 P35367 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD11B1 P28845 1/20 0.47
ATM Q13315 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL14191759 0.83 KDM4E (0.51) KDM4ETSHRPOLBTDP1NPSR1
SCHEMBL6445301 0.82 SMN1; SMN2 (0.53) KDM4ETSHRPOLBTDP1NPSR1
SCHEMBL3932945 0.80 KDM4E (0.56) KDM4ETSHRPOLBTDP1NPSR1
SCHEMBL31059181 0.80 KDM4E (0.68) KDM4ETSHRPOLBTDP1NPSR1
SCHEMBL12819456 0.80 KDM4E (0.68) KDM4ETSHRPOLBTDP1NPSR1
SCHEMBL31059180 0.80 KDM4E (0.68) KDM4ETSHRPOLBTDP1NPSR1
SCHEMBL30086100 0.80 KDM4E (0.58) KDM4ETSHRPOLBTDP1NPSR1
SCHEMBL229256 0.80 KDM4E (0.58) KDM4ETSHRPOLBTDP1NPSR1
Hydrochloric Acid SCHEMBL29367467 0.78 KDM4E (0.57) KDM4ETSHRPOLBTDP1NPSR1
SCHEMBL6227384 0.77 CYP1A2 (0.49) KDM4ETSHRPOLBTDP1NPSR1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576586-B1 C-28 AMIDES OF MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-08-12 EP disclosed
EP-2362909-A2 MAMMALIAN GENES INVOLVED IN INFECTION Zirus, Inc. (US) 2011-09-07 EP disclosed
WO-2011008230-A2 RAPAMYCIN DERIVATIVES AND ETHERS OF N-PROPANOLAMINES AND USES RELATED TO INFECTION Zirus, Inc. (US) 2011-01-20 WO disclosed
WO-2010039778-A2 MAMMALIAN GENES INVOLVED IN INFECTION Zirus, Inc. (US) 2010-04-08 WO disclosed
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 US disclosed
EP-0734389-B1 RAPAMYCIN DERIVATIVES USEFUL AS IMMUNOSUPPRESSANTS NOVARTIS AG (CH) 2000-03-29 EP disclosed
US-5985890-A Rapamycin derivatives NOVARTIS AG (CH) 1999-11-16 US disclosed
US-5912253-A 16-DEMETHOXY DERIVATIVES HAVING GREATER STABILITY AND BIOAVAILABILITY; FOR USE AS IMMUNOSUPPRESSANTS NOVARTIS AG (CH) 1999-06-15 US disclosed
EP-0833828-A1 RAPAMYCIN DERIVATIVES Novartis AG (CH) 1998-04-08 EP disclosed
WO-1996041807-A1 RAPAMYCIN DERIVATIVES NOVARTIS AG (CH) 1996-12-27 WO disclosed
EP-0734389-A1 RAPAMYCIN DERIVATIVES USEFUL AS IMMUNOSUPPRESSANTS Novartis AG (CH) 1996-10-02 EP disclosed
WO-1995016691-A1 RAPAMYCIN DERIVATIVES USEFUL AS IMMUNOSUPPRESSANTS SANDOZ LTD. (CH) 1995-06-22 WO disclosed
US-5063208-A Cardiovascular disorders, vision defects ABBOTT LABORATORIES (US) 1991-11-05 US disclosed