SCHEMBL13499558

SCHEMBL13499558

O=C1NC(=S)S/C1=C\c1cc(Br)ccc1F

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTP4A3 O75365 8/20 0.71
▸ CISD1 Q9NZ45 3/20 0.61
▸ CRHBP P24387 1/20 0.56
▸ CRHR2 Q13324 1/20 0.56
▸ NAT1 P18440 3/20 0.54
▸ DNM1 Q05193 1/20 0.51
▸ PIM1 P11309 1/20 0.51
▸ MYC P01106 1/20 0.51
▸ MAX P61244 1/20 0.51

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
SCHEMBL13499559 0.89 PTP4A3 (0.67) PTP4A3CISD1CRHBPCRHR2NAT1
SCHEMBL13499577 0.86 NAT1 (0.64) PTP4A3CRHBPCRHR2NAT1DNM1
SCHEMBL14463959 0.83 PTP4A3 (0.71) PTP4A3CISD1CRHBPCRHR2NAT1
SCHEMBL14464056 0.83 PTP4A3 (1.00) PTP4A3CISD1CRHBPCRHR2NAT1
SCHEMBL14464046 0.83 PTP4A3 (0.71) PTP4A3CISD1CRHBPCRHR2NAT1
SCHEMBL18102941 0.83 NAT1 (0.61) PTP4A3CRHBPCRHR2NAT1DNM1
SCHEMBL13499560 0.82 PTP4A3 (0.65) PTP4A3CISD1CRHBPCRHR2NAT1
SCHEMBL13499580 0.81 CISD1 (0.63) PTP4A3CISD1CRHBPCRHR2NAT1
SCHEMBL4806036 0.80 CA2 (0.71) PTP4A3CISD1CRHBPCRHR2NAT1
SCHEMBL4801244 0.80 CA2 (0.71) PTP4A3CISD1CRHBPCRHR2NAT1

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 3 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
WO-2006071255-A9 BACTERIAL REPLICATION SYSTEMS AND METHODS REPLIDYNE INC (US) 2007-02-15 — — WO disclosed
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