SCHEMBL5039739

SCHEMBL5039739

Cc1ccc(N2CCN(O)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
POLB P06746 1/20 0.54
MAPT P10636 6/20 0.53
ALDH1A1 P00352 5/20 0.53
KMT2A Q03164 6/20 0.52
MEN1 O00255 5/20 0.52
MAPK1 P28482 5/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
GAA P10253 3/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
HSP90AA1 P07900 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL5319286 0.86 SMN1; SMN2 (0.71) LMNASMN1; SMN2POLBMAPTALDH1A1
SCHEMBL3485157 0.84 GAA (0.69) LMNASMN1; SMN2POLBMAPTALDH1A1
SCHEMBL259406 0.82 MAPT (0.69) LMNASMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL7420552 0.82 MAPT (0.55) LMNASMN1; SMN2POLBMAPTALDH1A1
SCHEMBL3544478 0.81 MAPT (0.72) LMNASMN1; SMN2POLBMAPTALDH1A1
SCHEMBL3436164 0.80 LMNA (0.54) LMNASMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL29788065 0.79 TDP1 (0.74) LMNASMN1; SMN2POLBMAPTALDH1A1
SCHEMBL2039778 0.79 TDP1 (0.74) LMNASMN1; SMN2POLBMAPTALDH1A1
SCHEMBL4434853 0.79 MAPT (0.60) LMNASMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL16900643 0.78 HTT (0.63) LMNASMN1; SMN2MAPTALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622569-A4 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES INCYTE CORP (US) 2008-08-27 EP disclosed
EP-1622569-A2 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES Incyte Corporation (US) 2006-02-08 EP disclosed
WO-2004096139-A2 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES INCYTE CORPORATION (US) 2004-11-11 WO disclosed