SCHEMBL5493594

SCHEMBL5493594

[CH2]c1ccc(NC(=N)NC(=O)CNC(=O)[C@H](CO)NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.39
THRA P10827 1/20 0.37
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 3/20 0.37
ALDH1A1 P00352 6/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
POLB P06746 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
CA5B Q9Y2D0 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
SCHEMBL5500303 0.85 KMT2A (0.40) RORCTHRAKMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL308182 0.85 KMT2A (0.39) RORCTHRAKMT2AMEN1MAPT
SCHEMBL5494187 0.72 F7 (0.46) MAPTF2F10KDM4E
Hydrochloric Acid SCHEMBL307960 0.71 F7 (0.45) MAPTF2F10
SCHEMBL5499067 0.70 F10 (0.42) F2F10
Hydrochloric Acid SCHEMBL6544447 0.70 F10 (0.42) F2F10
SCHEMBL5497165 0.68 F10 (0.42) F2F10
SCHEMBL14628420 0.68 F10 (0.49) KMT2AF2F10CA12CA1
SCHEMBL308289 0.68 F10 (0.49) KMT2AF2F10CA12CA1
Hydrochloric Acid SCHEMBL6544352 0.67 F10 (0.49) KMT2AF2F10CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453852-B1 SELECTIVE UROKINASE INHIBITORS WILEX AG (DE) 2007-01-17 EP claimed