SCHEMBL8670890

SCHEMBL8670890

CCCCCCCCC=Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.51
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
APP P05067 1/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
FBP1 P09467 1/20 0.49
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TNNC1 P63316 1/20 0.46
KCNH2 Q12809 1/20 0.46
PTGS1 P23219 2/20 0.44
CYP19A1 P11511 1/20 0.44
MGLL Q99685 1/20 0.44

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
SCHEMBL8670886 1.00 PTGS2 (0.51) PTGS2MAPTALDH1A1APPMEN1
SCHEMBL15688634 1.00 PTGS2 (0.51) PTGS2MAPTALDH1A1APPMEN1
SCHEMBL15688633 1.00 PTGS2 (0.51) PTGS2MAPTALDH1A1APPMEN1
SCHEMBL2008642 1.00 PTGS2 (0.51) PTGS2MAPTALDH1A1APPMEN1
SCHEMBL2008644 1.00 PTGS2 (0.51) PTGS2MAPTALDH1A1APPMEN1
SCHEMBL6437684 0.98 PTGS2 (0.53) PTGS2MAPTALDH1A1APPMEN1
SCHEMBL6437741 0.98 PTGS2 (0.53) PTGS2MAPTALDH1A1APPMEN1
SCHEMBL6437682 0.98 PTGS2 (0.53) PTGS2MAPTALDH1A1APPMEN1
SCHEMBL15689016 0.94 PTGS2 (0.54) PTGS2MAPTALDH1A1APPMEN1
SCHEMBL15689017 0.94 PTGS2 (0.54) PTGS2MAPTALDH1A1APPMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753649-A Therapeutic agent for osteoporosis and diazepine compound YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-05-19 US disclosed
US-5593988-A DIAZIPINE DERIVATIVES OF THIOPHENE FOR BONE DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-01-14 US disclosed
EP-0638560-A1 REMEDY FOR OSTEOPOROSIS AND DIAZEPINE COMPOUND YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-02-15 EP disclosed