SCHEMBL13499580

SCHEMBL13499580

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

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CISD1 Q9NZ45 1/20 0.63
▸ PTP4A3 O75365 4/20 0.60
▸ MYC P01106 1/20 0.59
▸ MAX P61244 1/20 0.59
▸ ADAMTS5 Q9UNA0 1/20 0.54
▸ CRHBP P24387 1/20 0.53
▸ CRHR2 Q13324 1/20 0.53
▸ PIM1 P11309 4/20 0.52
▸ NAT1 P18440 3/20 0.51
▸ PIM2 Q9P1W9 1/20 0.49
▸ DNM1 Q05193 1/20 0.49
▸ S100A4 P26447 1/20 0.48

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
SCHEMBL2544087 0.86 PIM1 (0.67) CISD1PIM1PIM2
SCHEMBL2544089 0.86 PIM1 (0.67) CISD1PIM1PIM2
SCHEMBL13499577 0.83 NAT1 (0.64) PTP4A3MYCMAXCRHBPCRHR2
SCHEMBL18102941 0.81 NAT1 (0.61) PTP4A3MYCMAXCRHBPCRHR2
SCHEMBL13499558 0.81 PTP4A3 (0.71) CISD1PTP4A3MYCMAXCRHBP
SCHEMBL13499560 0.80 PTP4A3 (0.65) CISD1PTP4A3MYCMAXCRHBP
SCHEMBL4085089 0.79 PIM1 (0.77) CISD1MYCMAXADAMTS5CRHBP
SCHEMBL15091393 0.79 PIM1 (0.77) CISD1MYCMAXADAMTS5CRHBP
SCHEMBL4085086 0.79 PIM1 (0.77) CISD1MYCMAXADAMTS5CRHBP
SCHEMBL4806036 0.78 CA2 (0.71) CISD1PTP4A3ADAMTS5CRHBPCRHR2

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
US-20100028862-A1 BACTERIAL REPLICATION SYSTEMS AND METHODS Replidyne,Inc. (US) 2010-02-04 — — US disclosed
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