SCHEMBL6850338

SCHEMBL6850338

O=[N+]([O-])c1cccc2[nH]nc(-c3ccccc3)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
HPGD P15428 2/20 0.54
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 4/20 0.49
TTK P33981 4/20 0.49
MAPK10 P53779 2/20 0.49
ALPL P05186 1/20 0.49
GAA P10253 1/20 0.49
IDO1 P14902 1/20 0.49
GPR68 Q15743 1/20 0.47
ABCC8 Q09428 1/20 0.47
KCNJ11 Q14654 1/20 0.47
NPC1 O15118 2/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
LRRK2 Q5S007 1/20 0.45
NOS1 P29475 2/20 0.45
TDP1 Q9NUW8 2/20 0.45

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
SCHEMBL5075042 0.87 LRRK2 (0.46) MAPTHPGDKMT2AMEN1ALDH1A1
SCHEMBL7918987 0.82 HPGD (0.55) MAPTHPGDKMT2AMEN1ALDH1A1
SCHEMBL8550890 0.79 ATM (0.55) MAPTHPGDKMT2AMEN1ALDH1A1
SCHEMBL1253994 0.78 NOS1 (0.50) MAPTHPGDKMT2AMEN1ALDH1A1
SCHEMBL4008191 0.77 HPGD (0.62) MAPTHPGDKMT2AMEN1ALDH1A1
SCHEMBL1172817 0.76 NOS1 (0.49) MAPTHPGDKMT2AMEN1ALDH1A1
SCHEMBL837904 0.76 GAA (0.53) MAPTHPGDKMT2AMEN1ALDH1A1
SCHEMBL1172395 0.76 NOS1 (0.49) MAPTHPGDKMT2AMEN1ALDH1A1
SCHEMBL1172797 0.76 NOS1 (0.49) MAPTHPGDKMT2AMEN1ALDH1A1
SCHEMBL1171722 0.76 NOS1 (0.50) MAPTHPGDKMT2AMEN1ALDH1A1

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-2004058720-A2 COMPOUND LIBRARIES OF 1,3,5-SUBSTITUTE INDAZOLE DERIVATIVES AS COMPOUNDS FOR TARGETTING COMPOUNDS CAPABLE OF BINDING TO THE G-PROTEIN COUPLED RECEPTOR BIOFOCUS PLC (GB) 2004-07-15 WO claimed
WO-2004058720-A2 COMPOUND LIBRARIES OF 1,3,5-SUBSTITUTE INDAZOLE DERIVATIVES AS COMPOUNDS FOR TARGETTING COMPOUNDS CAPABLE OF BINDING TO THE G-PROTEIN COUPLED RECEPTOR BIOFOCUS PLC (GB) 2004-07-15 WO disclosed