SCHEMBL7824675

SCHEMBL7824675

CCN(CC)c1c(C)oc2c([N+](=O)[O-])cccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
GPR35 Q9HC97 1/20 0.42
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 2/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
PTBP1 P26599 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL7827731 0.83 ALDH1A1 (0.45) TDP1GPR35ALDH1A1MAPTL3MBTL1
SCHEMBL7827399 0.75 S100B (0.34) TDP1ALDH1A1MAPTL3MBTL1MAPK1
SCHEMBL7831575 0.75 TDP1 (0.48) TDP1GPR35ALDH1A1MAPTL3MBTL1
SCHEMBL7817261 0.74 GPR35 (0.47) TDP1GPR35ALDH1A1MAPTL3MBTL1
SCHEMBL7827473 0.74 TDP1 (0.44) TDP1GPR35ALDH1A1MAPTL3MBTL1
SCHEMBL7829809 0.74 TDP1 (0.44) TDP1GPR35ALDH1A1MAPTL3MBTL1
SCHEMBL7816217 0.74 GPR35 (0.47) TDP1GPR35ALDH1A1MAPTL3MBTL1
SCHEMBL7828666 0.73 ALDH1A1 (0.47) TDP1GPR35ALDH1A1MAPTL3MBTL1
SCHEMBL8341921 0.73 GPR35 (0.46) TDP1GPR35ALDH1A1MAPTL3MBTL1
SCHEMBL7830992 0.72 ALDH1A1 (0.49) TDP1GPR35ALDH1A1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0757682-B1 BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION FUJISAWA PHARMACEUTICAL CO (JP) 2001-06-20 EP disclosed
US-5858995-A ADMINISTERING TO HUMANS AND ANIMALS IN THE TREATMENT OF DISEASES CAUSED BY ABNORMAL BONE METABOLISM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-01-12 US disclosed
EP-0757682-A1 BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed
WO-1995029907-A1 BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-09 WO disclosed