SCHEMBL7367159

SCHEMBL7367159

O=C(O)Cc1nc(NCCc2cccc[n+]2[O-])c(=O)[nH]c1Cl

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.40
LMNA P02545 1/20 0.33
APP P05067 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
F10 P00742 4/20 0.31
ALDH1A1 P00352 2/20 0.31
AURKB Q96GD4 1/20 0.31
KDM4E B2RXH2 2/20 0.30
GAA P10253 1/20 0.30
HSD17B10 Q99714 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL7365091 0.86 F2 (0.39) F2APPNPSR1ALDH1A1KDM4E
SCHEMBL7361749 0.80 F2 (0.48) F2
SCHEMBL7368343 0.73 F2 (0.56) F2F10
SCHEMBL7362729 0.71 F2 (0.46) F2
SCHEMBL7364614 0.69 F2 (0.68) F2
SCHEMBL7223343 0.67 MAPT (0.45) F2LMNAAPPPTGDR2ALDH1A1
SCHEMBL31070228 0.66 ALDH1A1 (0.51) LMNANPSR1ALDH1A1KDM4EGAA
SCHEMBL5217903 0.66 ALDH1A1 (0.51) LMNANPSR1ALDH1A1KDM4EGAA
SCHEMBL7015258 0.66 F2 (0.44) F2LMNAAPPALDH1A1KDM4E
SCHEMBL7408234 0.65 EGLN1 (0.39) F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1259506-A1 PYRAZINONE THROMBIN INHIBITORS Merck & Co., Inc. (US) 2002-11-27 EP disclosed
WO-2001038323-A1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO., INC. (US) 2001-05-31 WO disclosed