SCHEMBL7307614

SCHEMBL7307614

CNC(=O)C(CCCCCOc1ccc(C(C)O)c([N+](=O)[O-])c1)N1CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.37
MAPT P10636 6/20 0.37
ALDH1A1 P00352 6/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 1/20 0.35
TP53 P04637 1/20 0.35
HTR6 P50406 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK1 P28482 1/20 0.34
ITGB2 P05107 1/20 0.34

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
SCHEMBL7320758 0.87 MAOB (0.39) KDM4EMAPTALDH1A1TDP1GAA
SCHEMBL7311430 0.86 KDM4E (0.37) KDM4EMAPTALDH1A1TDP1GAA
SCHEMBL10377209 0.78 KDM4E (0.39) KDM4EMAPTALDH1A1TDP1GAA
SCHEMBL7307607 0.75 LMNA (0.36) KDM4EMAPTALDH1A1TDP1GAA
SCHEMBL7307610 0.75 SIRT3 (0.38) KDM4EMAPTALDH1A1TDP1GAA
SCHEMBL7320282 0.68 PDE3B (0.53)
SCHEMBL7318298 0.67 KDM4E (0.45) KDM4EMAPTALDH1A1TDP1MEN1
SCHEMBL7317560 0.67 PDE3B (0.56)
SCHEMBL7314547 0.67 KDM4E (0.46) KDM4EMAPTALDH1A1TDP1MEN1
SCHEMBL7317244 0.66 PDE3B (0.41) KDM4EMAPTALDH1A1TP53L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4670434-A ANTICOAGULANT, INOTROPIC AGENT SYNTEX (U.S.A.) INC. (US) 1987-06-02 US disclosed