SCHEMBL6599003

SCHEMBL6599003

O=CN(c1ccc(Cl)cc1[N+](=O)[O-])c1n[nH]c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
MAPK1 P28482 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
KIF18A Q8NI77 1/20 0.38
HPGD P15428 3/20 0.36
PDE7A Q13946 4/20 0.36
PDE7B Q9NP56 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 2/20 0.35
NOS1 P29475 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
FADS1 O60427 1/20 0.34
PIM1 P11309 1/20 0.34
TSHR P16473 1/20 0.34
TRPA1 O75762 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL6610162 0.91 MAPT (0.43) MAPTMAPK1MEN1KMT2ALMNA
SCHEMBL6602000 0.86 NOS1 (0.43) MAPTMAPK1MEN1KMT2ALMNA
SCHEMBL6598902 0.81 GAA (0.39) MEN1KMT2AFADS1TRPA1CYP1A2
SCHEMBL628902 0.79 KDM4E (0.39) MEN1KMT2AFADS1TRPA1CYP1A2
SCHEMBL6599982 0.76 TRPA1 (0.44) MAPTMEN1KMT2ALMNAHPGD
SCHEMBL6601877 0.74 MAPT (0.44) MAPTMEN1KMT2ALMNAHPGD
SCHEMBL4322598 0.71 MAPT (0.47) MAPTMAPK1MEN1KMT2ALMNA
SCHEMBL4322602 0.71 MAPT (0.47) MAPTMAPK1MEN1KMT2ALMNA
SCHEMBL3534329 0.71 MAPT (0.39) MAPTMAPK1MEN1KMT2ALMNA
SCHEMBL6597125 0.71 KDM4E (0.45) HPGDPOLBCYP1A2CYP3A4

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-1432416-A1 AMINOINDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Pharmacia Italia S.p.A. (IT) 2004-06-30 EP disclosed
WO-2003028720-A1 AMINOINDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARMACIA ITALIA S.P.A. (IT) 2003-04-10 WO disclosed