SCHEMBL8599658

SCHEMBL8599658

COc1nc2c([N+](=O)[O-])cccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 1/20 0.56
PKN2 Q16513 1/20 0.56
MGAM O43451 1/20 0.50
GAA P10253 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
PDE10A Q9Y233 1/20 0.45
ALDH1A1 P00352 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
NOS1 P29475 4/20 0.43
DCTPP1 Q9H773 1/20 0.41
NOS2 P35228 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 2/20 0.41

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
SCHEMBL1013588 0.82 PKN1 (0.60) PKN1PKN2MGAMGAASI
SCHEMBL6332531 0.80 PKN1 (0.61) PKN1PKN2MGAMGAASI
SCHEMBL7475180 0.80 PKN1 (0.51) PKN1PKN2MGAMGAASI
SCHEMBL4564392 0.78 MGAM (0.64) PKN1PKN2MGAMGAASI
Dimethylamine SCHEMBL7486960 0.78 PKN1 (0.56) PKN1PKN2MGAMGAASI
SCHEMBL28603464 0.78 PKN1 (0.58) PKN1PKN2MGAMGAASI
SCHEMBL30132368 0.78 PKN1 (0.58) PKN1PKN2MGAMGAASI
SCHEMBL837903 0.78 PKN1 (0.58) PKN1PKN2MGAMGAASI
SCHEMBL8663375 0.78 PKN1 (0.58) PKN1PKN2MGAMGAASI
SCHEMBL6118599 0.78 PKN1 (0.58) PKN1PKN2MGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101489989-A Pentadiene amide derivative KYOWA HAKKO KIRIN CO LTD (JP) 2009-07-22 CN disclosed
EP-0863881-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-16 EP disclosed
WO-1997010219-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-20 WO disclosed