SCHEMBL8427201

SCHEMBL8427201

N#Cc1cc(-n2cccn2)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.40
GRIA2 P42262 2/20 0.40
GRIA3 P42263 2/20 0.40
GRIA4 P48058 2/20 0.40
GRM6 O15303 1/20 0.40
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 7/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
APEX1 P27695 1/20 0.40
BLM P54132 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NOTUM Q6P988 1/20 0.40
GRM5 P41594 2/20 0.39
VCAM1 P19320 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39

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
SCHEMBL25218344 0.79 ALDH1A1 (0.43) ALDH1A1KDM4EMAPK1MAPTNOTUM
SCHEMBL19260129 0.79 MAPT (0.49) ALDH1A1KDM4EMAPK1MAPTTDP1
SCHEMBL5333636 0.79 LMNA (0.52) ALDH1A1KDM4EMAPK1MAPTTDP1
SCHEMBL31277054 0.79 ALDH1A1 (0.43) ALDH1A1KDM4EMAPK1MAPTNOTUM
SCHEMBL4137682 0.79 HPGD (0.51) ALDH1A1KDM4EMAPK1MAPTHPGD
SCHEMBL7473254 0.78 FBP1 (0.46) GRIA1GRIA2GRIA3GRIA4GRM6
SCHEMBL27853895 0.76 MAPT (0.48) ALDH1A1KDM4EMAPK1MAPTNOTUM
SCHEMBL16150794 0.76 ALDH1A1 (0.47) ALDH1A1KDM4EMAPK1MAPTPOLB
SCHEMBL7425462 0.76 PDE2A (0.46) GRIA1GRIA2GRIA3GRIA4GRM6
SCHEMBL25027362 0.76 VCAM1 (0.46) ALDH1A1MAPK1MAPTTDP1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5955464-A USE OF THE RECEPTOR TYROSINE KINASE INHIBITORY PROPERTIES OF THE COMPOUNDS IN THE TREATMENT OF PROLIFERATIVE DISEASE SUCH AS CANCER ZENECA LIMITED (GB) 1999-09-21 US disclosed
EP-0794953-B1 QUINAZOLINE DERIVATIVES ZENECA LTD (GB) 1999-05-06 EP disclosed
EP-0794953-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1997-09-17 EP disclosed
WO-1996016960-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1996-06-06 WO disclosed