SCHEMBL3262055

SCHEMBL3262055

Cc1ccsc1-c1cc(N2CCN(C)CC2)ccc1N.Cc1ccsc1-c1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 7/20 0.60
MAPT P10636 4/20 0.60
ALDH1A1 P00352 1/20 0.51
HTR6 P50406 4/20 0.48
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.45
RECQL P46063 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
PTK2B Q14289 1/20 0.45
HPGD P15428 1/20 0.44
CSF1R P07333 1/20 0.44

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
SCHEMBL2910262 0.93 MAPT (0.58) SIRT6MAPTALDH1A1HTR6MAPK1
SCHEMBL2909909 0.88 GAA (0.57) SIRT6MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL10330200 0.76 SIRT6 (0.78) SIRT6MAPTALDH1A1HTR6MAPK1
SCHEMBL77148 0.76 SIRT6 (1.00) SIRT6MAPTALDH1A1HTR6MAPK1
SCHEMBL2913662 0.76 SIRT6 (0.59) SIRT6MAPTALDH1A1HTR6MAPK1
SCHEMBL170932 0.75 HPGD (0.75) SIRT6MAPTALDH1A1HTR6MAPK1
SCHEMBL2480696 0.75 SIRT6 (0.71) SIRT6MAPTALDH1A1HTR6MAPK1
SCHEMBL2908099 0.75 SIRT6 (0.60) SIRT6MAPTALDH1A1HTR6MAPK1
SCHEMBL2907565 0.73 CSF1R (0.52) SIRT6MAPTMAPK1RECQLKDM4E
SCHEMBL30900326 0.72 SIRT6 (0.67) SIRT6MAPTALDH1A1HTR6MAPK1

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-2222298-A1 USE OF CFMS INHIBITOR FOR TREATING OR PREVENTING BONE CANCER AND THE BONE LOSS AND BONE PAIN ASSOCIATED WITH BONE CANCER Janssen Pharmaceutica N.V. (BE) 2010-09-01 EP disclosed
WO-2009058801-A1 USE OF CFMS INHIBITOR FOR TREATING OR PREVENTING BONE CANCER AND THE BONE LOSS AND BONE PAIN ASSOCIATED WITH BONE CANCER JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-07 WO disclosed