SCHEMBL13499587

SCHEMBL13499587

O=C1NC(=S)S/C1=C\c1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 2/20 0.62
▸ CRHR2 Q13324 2/20 0.62
▸ MGAM O43451 1/20 0.58
▸ GAA P10253 1/20 0.58
▸ SI P14410 1/20 0.58
▸ MGAM2 Q2M2H8 1/20 0.58
▸ S100A4 P26447 1/20 0.56
▸ PIK3CG P48736 3/20 0.54
▸ PLG P00747 1/20 0.54
▸ PIK3CA P42336 1/20 0.54
▸ PTP4A3 O75365 4/20 0.54
▸ GSK3B P49841 3/20 0.51
▸ PIM1 P11309 1/20 0.50
▸ IDH1 O75874 1/20 0.50
▸ NAT1 P18440 1/20 0.49

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
SCHEMBL13499588 0.86 CRHBP (0.70) CRHBPCRHR2MGAMGAASI
SCHEMBL10438698 0.84 CRHBP (0.64) CRHBPCRHR2MGAMGAASI
SCHEMBL13499570 0.82 MGAM (0.66) CRHBPCRHR2MGAMGAASI
SCHEMBL13499568 0.82 GAA (0.62) CRHBPCRHR2MGAMGAASI
SCHEMBL13499577 0.81 NAT1 (0.64) CRHBPCRHR2GAAPTP4A3GSK3B
SCHEMBL13499585 0.79 CRHBP (0.56) CRHBPCRHR2MGAMGAASI
SCHEMBL3487584 0.79 S100A4 (0.61) CRHBPCRHR2MGAMGAASI
SCHEMBL3487583 0.79 S100A4 (0.61) CRHBPCRHR2MGAMGAASI
SCHEMBL13499566 0.79 S100A4 (0.61) CRHBPCRHR2MGAMGAASI
SCHEMBL13499558 0.79 PTP4A3 (0.71) CRHBPCRHR2PTP4A3PIM1NAT1

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
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
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