SCHEMBL5262398

SCHEMBL5262398

CNC(=NN)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
NPSR1 Q6W5P4 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ATM Q13315 2/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
METTL3 Q86U44 1/20 0.37
TSHR P16473 2/20 0.37
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
F12 P00748 1/20 0.36
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36

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
SCHEMBL15102612 1.00 GLA (0.42) GLACACNA1BAPBA1NPSR1TDP1
SCHEMBL13209207 0.79 GAA (0.44) GLACACNA1BAPBA1NPSR1TDP1
SCHEMBL2945465 0.79 NOS1 (0.40) TDP1KMT2AMEN1LMNATSHR
SCHEMBL12116657 0.79 GAA (0.44) GLACACNA1BAPBA1NPSR1TDP1
SCHEMBL441773 0.79 NOS1 (0.40) TDP1KMT2AMEN1LMNATSHR
SCHEMBL3773521 0.79 GAA (0.44) GLACACNA1BAPBA1NPSR1TDP1
SCHEMBL19490643 0.79 KMT2A (0.49) GLACACNA1BAPBA1NPSR1TDP1
SCHEMBL3081216 0.79 KMT2A (0.49) GLACACNA1BAPBA1NPSR1TDP1
SCHEMBL3081213 0.79 KMT2A (0.49) GLACACNA1BAPBA1NPSR1TDP1
SCHEMBL24100590 0.78 OGG1 (0.41) KMT2AMEN1LMNAMAPTF2

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-1781662-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME Pfizer, Inc. (US) 2007-05-09 EP disclosed
WO-2006018725-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2006-02-23 WO disclosed