SCHEMBL8799151

SCHEMBL8799151

Cc1oc2c([N+](=O)[O-])cccc2c1CC=NO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.41
ALDH1A1 P00352 6/20 0.41
MAPT P10636 6/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
PKM P14618 1/20 0.41
TDP1 Q9NUW8 4/20 0.38
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
FBP1 P09467 1/20 0.35
TSHR P16473 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL7817261 0.81 GPR35 (0.47) GPR35ALDH1A1MAPTMEN1KMT2A
SCHEMBL7827473 0.79 TDP1 (0.44) GPR35ALDH1A1MAPTMEN1KMT2A
SCHEMBL7829809 0.79 TDP1 (0.44) GPR35ALDH1A1MAPTMEN1KMT2A
SCHEMBL8344224 0.76 TDP1 (0.42) GPR35ALDH1A1MAPTMEN1KMT2A
SCHEMBL7826124 0.76 ALDH1A1 (0.60) GPR35ALDH1A1MAPTMEN1KMT2A
SCHEMBL7816604 0.74 GPR35 (0.43) GPR35ALDH1A1MAPTMEN1KMT2A
SCHEMBL7826454 0.73 GPR35 (0.44) GPR35ALDH1A1MAPTMEN1KMT2A
SCHEMBL7826452 0.73 GPR35 (0.44) GPR35ALDH1A1MAPTMEN1KMT2A
SCHEMBL28490813 0.72 GPR35 (0.41) GPR35ALDH1A1MAPTMEN1KMT2A
SCHEMBL7827949 0.72 TDP1 (0.46) GPR35ALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0757682-A1 BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed