SCHEMBL6846751

SCHEMBL6846751

O=C(O)C1(O)C=CC=C(c2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.40
POLB P06746 1/20 0.40
SLC6A3 Q01959 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
CES1 P23141 2/20 0.37
CES2 O00748 1/20 0.36
SRD5A2 P31213 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.35
APP P05067 1/20 0.35

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
SCHEMBL1843952 0.76 HPGD (0.40) MAPK1POLBSLC6A3ALDH1A1CES1
SCHEMBL31295612 0.74 TP53 (0.32) TP53
SCHEMBL8345246 0.72 CES1 (0.47) MAPK1POLBTDP1ALDH1A1LMNA
SCHEMBL3644184 0.69 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL4002907 0.69 LMNA (0.33) POLBTDP1ALDH1A1LMNAL3MBTL1
SCHEMBL10266693 0.67 HSD17B10 (0.45) MAPK1POLBSLC6A3ALDH1A1LMNA
Bicarbonate SCHEMBL1562172 0.67 MAPK1 (0.68) MAPK1POLBTDP1ALDH1A1LMNA
Bicarbonate SCHEMBL27200925 0.67 MAPK1 (0.68) MAPK1POLBTDP1ALDH1A1LMNA
Hydrogen Peroxide SCHEMBL28789390 0.65 ALDH1A1 (0.72) MAPK1TDP1ALDH1A1LMNACES1
SCHEMBL31124103 0.63 KDM4E (0.30) POLBALDH1A1

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
EP-1294378-A4 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORP (US) 2004-01-28 EP disclosed
EP-1294378-A2 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2003-03-26 EP disclosed
WO-2001089457-A2 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2001-11-29 WO disclosed