SCHEMBL7816604

SCHEMBL7816604

CCOC(=O)Cc1c(C)oc2c([N+](=O)[O-])cccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.43
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 4/20 0.43
PKM P14618 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 1/20 0.40
FBP1 P09467 1/20 0.39
HTT P42858 1/20 0.39
CACNA1C Q13936 1/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 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
SCHEMBL7524992 0.81 MAPK1 (0.47) GPR35ALDH1A1MEN1KMT2AMAPT
SCHEMBL7831949 0.81 L3MBTL1 (0.43) GPR35ALDH1A1MEN1KMT2AMAPT
SCHEMBL7817261 0.80 GPR35 (0.47) GPR35ALDH1A1MEN1KMT2AMAPT
SCHEMBL7825337 0.80 CHEK1 (0.44) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL8800071 0.78 GPR35 (0.43) GPR35ALDH1A1MEN1KMT2AMAPT
SCHEMBL7827473 0.78 TDP1 (0.44) GPR35ALDH1A1MEN1KMT2AMAPT
SCHEMBL7829809 0.78 TDP1 (0.44) GPR35ALDH1A1MEN1KMT2AMAPT
SCHEMBL7826124 0.78 ALDH1A1 (0.60) GPR35ALDH1A1MEN1KMT2AMAPT
SCHEMBL7832182 0.76 RAB9A (0.49) GPR35ALDH1A1MEN1KMT2AMAPT
SCHEMBL7832186 0.76 RAB9A (0.49) GPR35ALDH1A1MEN1KMT2AMAPT

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