SCHEMBL6274028

SCHEMBL6274028

O=C1Nc2ccc([N+](=O)[O-])cc2C12NN=C(c1ccccc1)S2

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 16/20 0.75
SLC27A2 O14975 1/20 0.67
SMN1; SMN2 Q16637 4/20 0.64
ALDH1A1 P00352 3/20 0.64
LMNA P02545 3/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
MAPT P10636 3/20 0.64
HTT P42858 3/20 0.64
TDP1 Q9NUW8 3/20 0.64
L3MBTL1 Q9Y468 3/20 0.64
HPGD P15428 3/20 0.64
MAPK1 P28482 2/20 0.64
XBP1 P17861 1/20 0.64
MDM2 Q00987 1/20 0.64
KDM4E B2RXH2 2/20 0.51
TP53 P04637 2/20 0.51
PGR P06401 1/20 0.46
ALPL P05186 1/20 0.45

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
SCHEMBL4347617 0.86 ADAMTS5 (1.00) ADAMTS5SLC27A2SMN1; SMN2ALDH1A1LMNA
SCHEMBL4201238 0.81 ADAMTS5 (1.00) ADAMTS5SLC27A2SMN1; SMN2ALDH1A1LMNA
SCHEMBL24571119 0.81 ADAMTS5 (0.74) ADAMTS5SLC27A2SMN1; SMN2ALDH1A1LMNA
SCHEMBL24571274 0.81 ADAMTS5 (0.74) ADAMTS5SLC27A2SMN1; SMN2ALDH1A1LMNA
SCHEMBL4354096 0.81 ADAMTS5 (1.00) ADAMTS5SLC27A2SMN1; SMN2ALDH1A1LMNA
SCHEMBL22571289 0.80 ADAMTS5 (0.69) ADAMTS5SLC27A2SMN1; SMN2ALDH1A1LMNA
SCHEMBL22571281 0.79 ADAMTS5 (0.70) ADAMTS5SLC27A2SMN1; SMN2ALDH1A1LMNA
SCHEMBL4982831 0.78 ADAMTS5 (0.70) ADAMTS5SLC27A2SMN1; SMN2ALDH1A1LMNA
SCHEMBL4356626 0.78 ADAMTS5 (1.00) ADAMTS5SLC27A2SMN1; SMN2ALDH1A1LMNA
SCHEMBL4985793 0.78 ADAMTS5 (0.77) ADAMTS5SLC27A2SMN1; SMN2ALDH1A1LMNA

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
WO-2005092304-A2 ANTIFUNGAL AGENTS F2G LTD (GB) 2005-10-06 WO claimed