SCHEMBL7326004

SCHEMBL7326004

N=C(N)c1cc(C(=O)OCc2ccccc2)ccc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
TDP1 Q9NUW8 4/20 0.54
KMT2A Q03164 4/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A3 Q01959 1/20 0.54
LMNA P02545 3/20 0.54
RAB9A P51151 6/20 0.51
NPC1 O15118 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 3/20 0.51
HPGD P15428 1/20 0.48
KDM4E B2RXH2 1/20 0.47
PLAU P00749 1/20 0.46
GAA P10253 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL5834916 0.89 ALDH1A1 (0.68) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL7423041 0.82 KMT2A (0.58) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL21027553 0.82 TDP1 (0.58) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL4938474 0.81 ALDH1A1 (0.71) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL8173802 0.81 KMT2A (0.71) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL2580214 0.81 TDP1 (0.66) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL2984951 0.80 TDP1 (0.60) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL9128273 0.80 LMNA (0.64) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL27678693 0.80 TDP1 (0.55) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL9223320 0.80 TDP1 (0.55) ALDH1A1TDP1KMT2ASLC6A2SLC6A3

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 13 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
US-5602145-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1997-02-11 US disclosed
EP-0702671-A4 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1996-06-19 EP disclosed
EP-0702671-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-03-27 EP disclosed
EP-0677041-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-18 EP disclosed
EP-0677041-A4 CHEMICAL COMPOUNDS. SMITHKLINE BEECHAM CORP (US) 1995-08-29 EP disclosed
WO-1994029273-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-12-22 WO disclosed
WO-1994015913-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-21 WO 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