SCHEMBL7817261

SCHEMBL7817261

Cc1oc2c([N+](=O)[O-])cccc2c1CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.47
ALDH1A1 P00352 4/20 0.46
MAPT P10636 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
PKM P14618 1/20 0.46
TDP1 Q9NUW8 4/20 0.44
TSHR P16473 3/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FBP1 P09467 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL7829809 0.85 TDP1 (0.44) GPR35ALDH1A1MAPTL3MBTL1MEN1
SCHEMBL7827473 0.85 TDP1 (0.44) GPR35ALDH1A1MAPTL3MBTL1MEN1
SCHEMBL8344224 0.83 TDP1 (0.42) GPR35ALDH1A1MAPTL3MBTL1MEN1
SCHEMBL7826124 0.82 ALDH1A1 (0.60) GPR35ALDH1A1MAPTL3MBTL1MEN1
SCHEMBL8799151 0.81 GPR35 (0.41) GPR35ALDH1A1MAPTL3MBTL1MEN1
SCHEMBL7816604 0.80 GPR35 (0.43) GPR35ALDH1A1MAPTL3MBTL1MEN1
SCHEMBL7831575 0.77 TDP1 (0.48) GPR35ALDH1A1MAPTL3MBTL1MEN1
SCHEMBL7823621 0.77 TDP1 (0.54) GPR35ALDH1A1MAPTL3MBTL1MEN1
SCHEMBL8342857 0.77 GAA (0.50) GPR35ALDH1A1MAPTL3MBTL1MEN1
SCHEMBL7816217 0.76 GPR35 (0.47) GPR35ALDH1A1MAPTL3MBTL1MEN1

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