SCHEMBL15066588

SCHEMBL15066588

NNc1ccncc1C(=O)NN1C(=O)CCC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 2/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
SIRT3 Q9NTG7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NUDT1 P36639 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MPO P05164 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL1923453 0.76 CA12 (0.38) KDM4ECA12CA1CA2CA9
Hydrochloric Acid SCHEMBL7062212 0.75 CA12 (0.37) KDM4ECA12CA1CA2CA9
SCHEMBL15066590 0.73 KDM4E (0.50) KDM4EMEN1KMT2AGAALMNA
Acetone SCHEMBL44218 0.73 GAA (0.38) KDM4ECA12CA1CA2CA9
SCHEMBL4654937 0.73 CA12 (0.49) KDM4ECA12CA1CA2CA9
SCHEMBL5669489 0.72 KDM4E (0.41) KDM4E
Acetone SCHEMBL16337585 0.72 GAA (0.37) KDM4ECA12CA1CA2CA9
SCHEMBL662028 0.71 SIRT3 (0.58) KDM4ECA12CA1CA2CA9
SCHEMBL188821 0.71 KDM4C (0.55) KDM4ECA12CA1CA2CA9
SCHEMBL19611328 0.71 KDM4C (0.55) KDM4ECA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210230592-A1 Targeted Self-Assembly of Functionalized Carbon Nanotubes on Tumors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2021-07-29 US disclosed
US-10900037-B2 Targeted self-assembly of functionalized carbon nanotubes on tumors SCHEINBERG DAVID A (US) 2021-01-26 US disclosed
US-20180327742-A1 Targeted Self-Assembly of Functionalized Carbon Nanotubes on Tumors SCHEINBERG DAVID A (US) 2018-11-15 US disclosed
US-9976137-B2 Targeted self-assembly of functionalized carbon nanotubes on tumors SCHEINBERG DAVID A (US) 2018-05-22 US disclosed
EP-2797605-B1 TARGETED SELF-ASSEMBLY 0F FUNCTIONALIZED CARBON NANOTUBES ON TUMORS SLOAN KETTERING INST FOR CANCER RES (US) 2017-07-05 EP disclosed
CN-104334178-B Targeting self assembly of the functionalized carbon nano-tube in tumour 斯隆-凯特琳癌症研究院 2017-07-04 CN disclosed
CN-104334178-A Targeted self-assembly 0f functionalized carbon nanotubes on tumors SLOAN KETTERING INST CANCER 2015-02-04 CN disclosed
EP-2797605-A2 TARGETED SELF-ASSEMBLY 0F FUNCTIONALIZED CARBON NANOTUBES ON TUMORS Sloan Kettering Institute For Cancer Research (US) 2014-11-05 EP disclosed
US-20140308203-A1 Targeted Self-Assembly of Functionalized Carbon Nanotubes on Tumors SCHEINBERG DAVID A (US) 2014-10-16 US disclosed
WO-2013101983-A2 TARGETED SELF-ASSEMBLY 0F FUNCTIONALIZED CARBON NANOTUBES ON TUMORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2013-07-04 WO disclosed