SCHEMBL6280404

SCHEMBL6280404

Cc1cc(Cn2cncn2)ccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.49
CYP19A1 P11511 9/20 0.46
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2C P18825 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HRH1 P35367 1/20 0.40
HTR2B P41595 1/20 0.40

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
SCHEMBL9525426 0.81 KDM4E (0.50) PKMCYP19A1HDAC1HDAC6ALDH1A1
SCHEMBL5906284 0.78 MEN1 (0.47) PKMMAPTALDH1A1HTR1AHTR2C
SCHEMBL6274939 0.78 LMNA (0.45) MAPT
SCHEMBL5906474 0.78 HTT (0.46) CYP19A1HDAC1HDAC6MAPTALDH1A1
SCHEMBL994055 0.77 CYP19A1 (0.57) PKMCYP19A1HDAC1HDAC6MAPT
SCHEMBL5906425 0.77 LMNA (0.42) MAPTALDH1A1
SCHEMBL28801093 0.76 HSD17B10 (0.49) MAPTALDH1A1
SCHEMBL5906268 0.76 CYP19A1 (0.45) CYP19A1MAPTALDH1A1HTR1A
SCHEMBL5906197 0.76 CYP19A1 (0.51) CYP19A1HDAC1HDAC6HTR1AADRA2C
SCHEMBL2728791 0.75 CYP19A1 (0.57) PKMCYP19A1HDAC1HDAC6MAPT

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-1606271-A1 INSECTICIDAL PHTHALAMIDE DERIVATIVES Bayer CropScience AG (DE) 2005-12-21 EP disclosed
WO-2004080984-A1 INSECTICIDAL PHTHALAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2004-09-23 WO disclosed