SCHEMBL7823672

SCHEMBL7823672

CC(=O)Nc1cc([N+](=O)[O-])cc2c(C)c(C)oc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 5/20 0.41
LMNA P02545 5/20 0.39
POLB P06746 4/20 0.39
HTT P42858 4/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 3/20 0.39
GAA P10253 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HPGD P15428 2/20 0.39
GALR2 O43603 1/20 0.39
MITF O75030 1/20 0.39
HSP90AA1 P07900 1/20 0.39
XBP1 P17861 1/20 0.39
CCR6 P51684 1/20 0.39
PKM P14618 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP19A1 P11511 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
SCHEMBL8345544 0.80 TNF (0.45) SMN1; SMN2KMT2AALDH1A1POLBHTT
SCHEMBL9445618 0.76 SMN1; SMN2 (0.51) SMN1; SMN2KMT2AALDH1A1LMNAPOLB
SCHEMBL7827691 0.75 CYP3A4 (0.45) KMT2AALDH1A1POLBHTTMAPT
SCHEMBL427418 0.73 HTT (0.67) SMN1; SMN2KMT2AALDH1A1LMNAPOLB
SCHEMBL10871685 0.69 SMN1; SMN2 (0.47) SMN1; SMN2KMT2AALDH1A1LMNAPOLB
SCHEMBL14503714 0.69 ALOX5 (0.56) SMN1; SMN2KMT2AALDH1A1POLBHTT
SCHEMBL2791838 0.68 GPR35 (0.54) SMN1; SMN2KMT2AALDH1A1LMNAPOLB
SCHEMBL9360691 0.68 PDPK1 (0.56) SMN1; SMN2KMT2AALDH1A1POLBMAPT
SCHEMBL3597390 0.67 SMN1; SMN2 (0.51) SMN1; SMN2KMT2AALDH1A1LMNAPOLB
SCHEMBL4326710 0.67 SMN1; SMN2 (0.58) SMN1; SMN2KMT2AALDH1A1HTTMAPT

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