SCHEMBL7403134

SCHEMBL7403134

COC(=O)CCCc1ccc([N+](=O)[O-])cc1N

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.54
ALDH1A1 P00352 5/20 0.54
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HTT P42858 1/20 0.47
MAPT P10636 4/20 0.46
CYP3A4 P08684 3/20 0.46
ALOX15 P16050 1/20 0.46
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.43
RECQL P46063 1/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
PTPN11 Q06124 1/20 0.42
POLB P06746 2/20 0.42

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
SCHEMBL3659178 0.84 ALDH1A1 (0.57) TDP1ALDH1A1MEN1KMT2AHTT
SCHEMBL9070340 0.83 ALDH1A1 (0.54) TDP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL7948673 0.80 MAPT (0.53) TDP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL2566274 0.80 CYP3A4 (0.53) TDP1ALDH1A1MEN1KMT2AHTT
SCHEMBL2129946 0.79 ALDH1A1 (0.61) TDP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL1350599 0.79 MAPT (0.55) TDP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL1108437 0.78 KMT2A (0.60) ALDH1A1MEN1KMT2AHTTMAPT
SCHEMBL28113289 0.78 MAPT (0.50) TDP1ALDH1A1MEN1KMT2AHTT
SCHEMBL16497028 0.77 CYP3A4 (0.50) TDP1ALDH1A1MEN1KMT2AHTT
SCHEMBL18982074 0.77 MEN1 (0.49) TDP1ALDH1A1MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0593603-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
US-6127359-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-10-03 US disclosed
US-5939412-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-08-17 US disclosed
US-5693636-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1997-12-02 US disclosed
EP-0593603-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-04-27 EP disclosed
WO-1993000095-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-07 WO disclosed