SCHEMBL7987904

SCHEMBL7987904

COC(=O)c1cc(N2CCCNCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.69
MAPT P10636 11/20 0.57
ALDH1A1 P00352 6/20 0.57
POLB P06746 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
MAPK1 P28482 1/20 0.56
RECQL P46063 1/20 0.54
LMNA P02545 1/20 0.51
CYP1A2 P05177 4/20 0.51
CYP2C19 P33261 4/20 0.51
CYP2C9 P11712 3/20 0.51
HTT P42858 1/20 0.51
HPGD P15428 3/20 0.48
KMT2A Q03164 1/20 0.48
HTR6 P50406 5/20 0.47
CYP3A4 P08684 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL20509684 0.89 SIRT6 (0.81) SIRT6MAPTALDH1A1MAPK1LMNA
SCHEMBL44878 0.88 SIRT6 (0.79) SIRT6MAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL3049167 0.86 MAPT (0.62) SIRT6MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL23044900 0.86 SIRT6 (0.61) SIRT6MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL3463899 0.83 MAPT (0.59) SIRT6MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL22652232 0.82 SIRT6 (1.00) SIRT6MAPTALDH1A1MAPK1HTR6
SCHEMBL21683030 0.81 SIRT6 (0.76) SIRT6MAPTALDH1A1MAPK1LMNA
SCHEMBL2202741 0.81 ALDH1A1 (0.78) SIRT6MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL5624466 0.81 SIRT6 (0.76) SIRT6MAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL1414539 0.80 MAPT (0.64) SIRT6MAPTALDH1A1POLBSMN1; SMN2

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
US-6333320-B1 USEFUL AS DRUGS, ESPECIALLY AS AN ACTIVATED BLOOD COAGULATION FACTOR X INHIBITOR Yamanouchi Pharmaceutical Co. (JP) 2001-12-25 US disclosed
EP-1000936-A1 NOVEL HEXAHYDRO-1,4-DIAZEPINE DERIVATIVES OR SALTS THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2000-05-17 EP disclosed