SCHEMBL4744340

SCHEMBL4744340

O=[N+]([O-])c1ccc(Cl)cc1Nc1ccc(N2CCCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
MAPT P10636 12/20 0.60
MAPK1 P28482 5/20 0.60
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
TDP1 Q9NUW8 2/20 0.60
LMNA P02545 1/20 0.59
POLB P06746 1/20 0.59
CYP1A2 P05177 3/20 0.57
CYP2C19 P33261 3/20 0.57
CYP2C9 P11712 2/20 0.57
HPGD P15428 2/20 0.57
L3MBTL1 Q9Y468 3/20 0.53
CYP3A4 P08684 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
NPSR1 Q6W5P4 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
SCHEMBL4747675 0.88 HTR6 (0.61) ALDH1A1MAPTMAPK1KMT2AMEN1
SCHEMBL31237089 0.86 MAPT (0.56) ALDH1A1MAPTMAPK1KMT2AMEN1
SCHEMBL31144796 0.85 MAPT (0.60) ALDH1A1MAPTMAPK1KMT2AMEN1
SCHEMBL31237016 0.82 LMNA (0.47) ALDH1A1MAPTMAPK1KMT2AMEN1
SCHEMBL4930639 0.82 L3MBTL1 (0.62) ALDH1A1MAPTMAPK1KMT2AMEN1
SCHEMBL1842394 0.82 MAPT (0.67) ALDH1A1MAPTMAPK1KMT2AMEN1
SCHEMBL31237099 0.81 ALDH1A1 (0.54) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL31237038 0.80 MAPT (0.54) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL31237055 0.79 MAPT (0.59) ALDH1A1MAPTMAPK1KMT2AMEN1
SCHEMBL4850812 0.78 MAPT (0.56) ALDH1A1MAPTMAPK1KMT2AMEN1

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