SCHEMBL13499588

SCHEMBL13499588

O=C1NC(=S)S/C1=C\c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 3/20 0.70
▸ CRHR2 Q13324 3/20 0.70
▸ PTP4A3 O75365 1/20 0.70
▸ PIM1 P11309 1/20 0.61
▸ MGAM O43451 1/20 0.59
▸ GAA P10253 1/20 0.59
▸ SI P14410 1/20 0.59
▸ MGAM2 Q2M2H8 1/20 0.59
▸ NAT1 P18440 1/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ PIK3CG P48736 3/20 0.55
▸ PIK3CA P42336 1/20 0.55
▸ S100A4 P26447 1/20 0.55
▸ CISD1 Q9NZ45 1/20 0.54
▸ PLA2G1B P04054 1/20 0.53
▸ ATG4B Q9Y4P1 1/20 0.53
▸ POLB P06746 1/20 0.53

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
SCHEMBL13499587 0.86 CRHBP (0.62) CRHBPCRHR2PTP4A3PIM1MGAM
SCHEMBL10438698 0.85 CRHBP (0.64) CRHBPCRHR2PTP4A3PIM1MGAM
SCHEMBL13499570 0.83 MGAM (0.66) CRHBPCRHR2PIM1MGAMGAA
SCHEMBL28965550 0.82 PTP4A3 (1.00) CRHBPCRHR2PTP4A3PIM1MGAM
SCHEMBL3487584 0.82 S100A4 (0.61) CRHBPCRHR2PTP4A3PIM1MGAM
SCHEMBL3487583 0.82 S100A4 (0.61) CRHBPCRHR2PTP4A3PIM1MGAM
SCHEMBL13499566 0.82 S100A4 (0.61) CRHBPCRHR2PTP4A3PIM1MGAM
SCHEMBL6790831 0.81 CRHBP (0.54) CRHBPCRHR2PTP4A3PIM1MGAM
SCHEMBL13499568 0.80 GAA (0.62) CRHBPCRHR2PTP4A3PIM1MGAM
SCHEMBL13499585 0.80 CRHBP (0.56) CRHBPCRHR2PTP4A3MGAMGAA

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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