SCHEMBL13499573

SCHEMBL13499573

O=C1NC(=S)S/C1=C\c1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 3/20 0.68
▸ CRHR2 Q13324 3/20 0.68
▸ PTP4A3 O75365 2/20 0.68
▸ GSK3B P49841 2/20 0.57
▸ PIM1 P11309 1/20 0.56
▸ NAT1 P18440 4/20 0.56
▸ MYC P01106 1/20 0.56
▸ MAX P61244 1/20 0.56
▸ DNM1 Q05193 1/20 0.53
▸ PLA2G1B P04054 1/20 0.52
▸ ATG4B Q9Y4P1 1/20 0.52
▸ CASP7 P55210 2/20 0.51
▸ CASP9 P55211 2/20 0.51
▸ CASP6 P55212 2/20 0.51
▸ TDP2 O95551 1/20 0.51
▸ CASP8 Q14790 1/20 0.51
▸ IGF1R P08069 1/20 0.50
▸ CISD1 Q9NZ45 1/20 0.50
▸ GAA P10253 2/20 0.49
▸ MEN1 O00255 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
SCHEMBL2065487 0.90 CRHBP (0.72) CRHBPCRHR2PTP4A3GSK3BPIM1
SCHEMBL2065485 0.90 CRHBP (0.72) CRHBPCRHR2PTP4A3GSK3BPIM1
SCHEMBL10438698 0.86 CRHBP (0.64) CRHBPCRHR2PTP4A3GSK3BPIM1
SCHEMBL8310830 0.82 TDP2 (0.75) CRHBPCRHR2PTP4A3GSK3BPIM1
SCHEMBL8310829 0.82 TDP2 (0.75) CRHBPCRHR2PTP4A3GSK3BPIM1
SCHEMBL20535130 0.81 PTP4A3 (0.79) CRHBPCRHR2PTP4A3PIM1NAT1
SCHEMBL20535128 0.81 PTP4A3 (0.79) CRHBPCRHR2PTP4A3PIM1NAT1
SCHEMBL12204299 0.81 PTP4A3 (0.79) CRHBPCRHR2PTP4A3PIM1NAT1
SCHEMBL28965550 0.81 PTP4A3 (1.00) CRHBPCRHR2PTP4A3PIM1NAT1
SCHEMBL14610176 0.81 PTP4A3 (0.70) 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 4 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-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
WO-2006071255-A9 BACTERIAL REPLICATION SYSTEMS AND METHODS REPLIDYNE INC (US) 2007-02-15 — — WO disclosed
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