SCHEMBL5165090

SCHEMBL5165090

O=CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HTR7 P34969 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ENPP2 Q13822 3/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL1126076 0.83 MAPT (0.60) MAPTKDM4EMEN1KMT2AHTR7
SCHEMBL3632512 0.82 CTSK (0.60) MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL31232720 0.81 HTR7 (0.56) MAPTKDM4EMEN1KMT2AHTR7
SCHEMBL520396 0.81 HTR7 (0.56) MAPTKDM4EMEN1KMT2AHTR7
SCHEMBL2627249 0.81 MAPT (0.69) MAPTKDM4EMEN1KMT2AHTR7
Hydrochloric Acid SCHEMBL31232759 0.80 HTR7 (0.58) MAPTKDM4EMEN1KMT2AHTR7
SCHEMBL2658565 0.80 POLB (0.56) MAPTKDM4EMEN1KMT2AHTR7
SCHEMBL5779277 0.80 MAPT (0.52) MAPTKDM4EMEN1KMT2AHTR7
SCHEMBL2658558 0.80 POLB (0.56) MAPTKDM4EMEN1KMT2AHTR7
SCHEMBL2659435 0.80 L3MBTL1 (0.61) MAPTKDM4EMEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756098-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2007-02-28 EP disclosed
WO-2005116025-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2005-12-08 WO disclosed