SCHEMBL2901722

SCHEMBL2901722

O=C(O)c1cccnc1-c1ncccc1-c1ccccn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.68
TDP1 Q9NUW8 1/20 0.68
L3MBTL1 Q9Y468 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
BLM P54132 1/20 0.47
AGER Q15109 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NAPRT Q6XQN6 3/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4C Q9H3R0 2/20 0.45
KDM6B O15054 1/20 0.45
KDM4A O75164 1/20 0.45
KDM5C P41229 1/20 0.45
KDM2A Q9Y2K7 1/20 0.45
KDM3A Q9Y4C1 1/20 0.45

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
SCHEMBL31317750 1.00 KDM4E (0.68) KDM4ETDP1L3MBTL1ALDH1A1CYP3A4
Dipyridyl SCHEMBL3954419 0.88 KDM4E (0.75) KDM4ETDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL29693966 0.86 KDM4E (0.71) KDM4ETDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL646624 0.86 KDM4E (0.71) KDM4ETDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL29260719 0.86 KDM4E (0.61) KDM4ETDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL1539363 0.85 KDM4E (0.47) KDM4ETDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL31214633 0.85 KDM4E (0.69) KDM4ETDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL28561077 0.85 KDM4E (0.69) KDM4ETDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL28291927 0.85 KDM4E (0.69) KDM4ETDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL2384672 0.85 KDM4E (0.69) KDM4ETDP1L3MBTL1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113816893-A Preparation method of high-purity captan 河北冠龙农化有限公司 2021-12-21 CN claimed
CN-109705839-B Terpyridine derivative functionalized rare earth europium mesoporous hybrid luminescent material and preparation method and application thereof 河北科技大学 2021-08-31 CN claimed
CN-113816893-A Preparation method of high-purity captan 河北冠龙农化有限公司 2021-12-21 CN disclosed
CN-109705839-B Terpyridine derivative functionalized rare earth europium mesoporous hybrid luminescent material and preparation method and application thereof 河北科技大学 2021-08-31 CN disclosed
US-20150065712-A1 METAL-MEDIATED REVERSIBLE SELF-ASSEMBLY OF CARBON NANOTUBES NEWKOME GEORGE R (US) 2015-03-05 US disclosed
US-8895742-B2 Metal-mediated reversible self-assembly of carbon nanotubes THE UNIVERSITY OF AKRON (US) 2014-11-25 US disclosed
US-20100286395-A1 METAL-MEDIATED REVERSIBLE SELF-ASSEMBLY OF CARBON NANOTUBES THE UNIVERSITY OF AKRON (US) 2010-11-11 US disclosed
WO-2006106491-A2 METAL-MEDIATED REVERSIBLE SELF-ASSEMBLY OF CARBON NANOTUBES THE UNIVERSITY OF AKRON (US) 2006-10-12 WO disclosed