SCHEMBL3487584

SCHEMBL3487584

O=C1NC(=S)SC1=Cc1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S100A4 P26447 1/20 0.61
▸ CRHBP P24387 3/20 0.54
▸ CRHR2 Q13324 3/20 0.54
▸ PTP4A3 O75365 2/20 0.54
▸ MGAM O43451 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ SI P14410 1/20 0.50
▸ MGAM2 Q2M2H8 1/20 0.50
▸ MYC P01106 1/20 0.49
▸ NAT1 P18440 1/20 0.49
▸ MAX P61244 1/20 0.49
▸ PIM1 P11309 1/20 0.47
▸ PIK3CG P48736 3/20 0.47
▸ PIK3CA P42336 1/20 0.47
▸ DNM1 Q05193 1/20 0.44
▸ GSK3B P49841 2/20 0.44
▸ PLA2G1B P04054 1/20 0.44
▸ ATG4B Q9Y4P1 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ POLB P06746 2/20 0.43

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
SCHEMBL3487583 1.00 S100A4 (0.61) S100A4CRHBPCRHR2PTP4A3MGAM
SCHEMBL13499566 1.00 S100A4 (0.61) S100A4CRHBPCRHR2PTP4A3MGAM
SCHEMBL12902004 0.90 S100A4 (0.61) S100A4CRHBPCRHR2PTP4A3MGAM
SCHEMBL6184140 0.90 S100A4 (0.62) S100A4CRHBPCRHR2MGAMGAA
SCHEMBL6184142 0.90 S100A4 (0.62) S100A4CRHBPCRHR2MGAMGAA
SCHEMBL12892070 0.90 S100A4 (0.62) S100A4CRHBPCRHR2MGAMGAA
SCHEMBL13499588 0.82 CRHBP (0.70) S100A4CRHBPCRHR2PTP4A3MGAM
SCHEMBL16453650 0.80 PIM1 (0.62) CRHBPCRHR2PTP4A3MGAMGAA
SCHEMBL13499587 0.79 CRHBP (0.62) S100A4CRHBPCRHR2PTP4A3MGAM
SCHEMBL13499569 0.78 S100A4 (0.56) S100A4CRHBPCRHR2PTP4A3MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431376-B2 Bacterial replication systems and methods THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2013-04-30 — — US disclosed
US-20100028862-A1 BACTERIAL REPLICATION SYSTEMS AND METHODS Replidyne,Inc. (US) 2010-02-04 — — US disclosed
EP-1759008-A4 BACTERIAL REPLICATION SYSTEMS AND METHODS REPLIDYNE INC (US) 2008-08-06 — — EP disclosed
EP-1759008-A2 BACTERIAL REPLICATION SYSTEMS AND METHODS Replidyne, Inc. (US) 2007-03-07 — — EP disclosed
WO-2006071255-A9 BACTERIAL REPLICATION SYSTEMS AND METHODS REPLIDYNE INC (US) 2007-02-15 — — WO disclosed
WO-2006071255-A2 BACTERIAL REPLICATION SYSTEMS AND METHODS REPLIDYNE, INC. (US) 2006-07-06 — — WO disclosed
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