SCHEMBL4747675

SCHEMBL4747675

CN1CCN(c2ccc(Nc3cc(Cl)ccc3[N+](=O)[O-])cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.61
MAPT P10636 3/20 0.60
MAPK1 P28482 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.57
RAD52 P43351 1/20 0.55
GFER P55789 1/20 0.55
SIRT6 Q8N6T7 7/20 0.53
ALDH1A1 P00352 1/20 0.53
BRD4 O60885 1/20 0.52

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
SCHEMBL4744340 0.88 ALDH1A1 (0.61) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL19350802 0.84 MAPT (0.69) HTR6MAPTMAPK1MEN1KMT2A
SCHEMBL31237089 0.84 MAPT (0.56) HTR6MAPTMAPK1MEN1KMT2A
SCHEMBL1845227 0.83 MAPT (0.70) HTR6MAPTMAPK1MEN1KMT2A
SCHEMBL31237044 0.82 L3MBTL1 (0.47) HTR6MAPTMAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL1845124 0.82 MAPT (0.69) HTR6MAPTMAPK1MEN1KMT2A
SCHEMBL31237055 0.81 MAPT (0.59) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL4930639 0.80 L3MBTL1 (0.62) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL2324309 0.78 L3MBTL1 (0.56) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL3949905 0.78 LMNA (0.75) HTR6MAPTMAPK1MEN1KMT2A

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
WO-2008114009-A1 10H-BENZO(G)PTERDINE-2,4-DIONE COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CAMBRIDGE ENTERPRISE LTD. (GB) 2008-09-25 WO disclosed
WO-2008114009-A1 10H-BENZO(G)PTERDINE-2,4-DIONE COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CAMBRIDGE ENTERPRISE LTD. (GB) 2008-09-25 WO disclosed