SCHEMBL6602000

SCHEMBL6602000

O=CN(c1ccccc1[N+](=O)[O-])c1n[nH]c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.43
MAPT P10636 4/20 0.38
KDM4E B2RXH2 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 3/20 0.38
MEN1 O00255 3/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
MAPK1 P28482 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
NOS2 P35228 1/20 0.38
BLM P54132 1/20 0.38
AR P10275 1/20 0.36
LRRK2 Q5S007 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
TDO2 P48775 1/20 0.36

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
SCHEMBL6599003 0.86 MAPT (0.45) NOS1MAPTKMT2ACYP3A4MEN1
SCHEMBL6610162 0.86 MAPT (0.43) NOS1MAPTKMT2AMEN1MAPK1
SCHEMBL6601877 0.80 MAPT (0.44) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL6597236 0.79 KDM4E (0.38) KDM4EKMT2AALDH1A1CYP3A4MEN1
SCHEMBL6597125 0.79 KDM4E (0.45) KDM4EALDH1A1CYP3A4CYP1A2AR
SCHEMBL3534329 0.76 MAPT (0.39) MAPTKMT2AALDH1A1MEN1MAPK1
SCHEMBL6595697 0.70 FLT3 (0.43) KDM4EKMT2AALDH1A1CYP3A4MEN1
SCHEMBL6599982 0.70 TRPA1 (0.44) NOS1MAPTKDM4EKMT2AALDH1A1
SCHEMBL6598902 0.70 GAA (0.39) KDM4EKMT2AALDH1A1CYP3A4MEN1
SCHEMBL628902 0.70 KDM4E (0.39) KDM4EKMT2AALDH1A1CYP3A4MEN1

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