SCHEMBL13499581

SCHEMBL13499581

O=C1NC(=S)S/C1=C\c1cccc(C(F)(F)F)c1F

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.78
MAX P61244 1/20 0.78
PTP4A3 O75365 1/20 0.60
PIM1 P11309 5/20 0.56
CISD1 Q9NZ45 1/20 0.56
NAT1 P18440 6/20 0.56
PDE4B Q07343 1/20 0.52
GSK3B P49841 1/20 0.51
CA2 P00918 1/20 0.50
EPHX1 P07099 1/20 0.50
PIM2 Q9P1W9 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
SCHEMBL26485814 0.88 MYC (1.00) MYCMAXPTP4A3PIM1CISD1
SCHEMBL26485786 0.88 MYC (1.00) MYCMAXPTP4A3PIM1CISD1
SCHEMBL2546644 0.86 PIM1 (0.63) MYCMAXPIM1CISD1NAT1
SCHEMBL2546641 0.86 PIM1 (0.63) MYCMAXPIM1CISD1NAT1
SCHEMBL13499578 0.83 PIM1 (0.62) MYCMAXPTP4A3PIM1NAT1
SCHEMBL32672283 0.81 NAT1 (0.74) MYCMAXPIM1NAT1PDE4B
SCHEMBL18102951 0.81 NAT1 (0.74) MYCMAXPTP4A3PIM1NAT1
SCHEMBL13499561 0.81 PIM1 (0.74) MYCMAXPTP4A3PIM1CISD1
SCHEMBL13499562 0.78 NAT1 (0.76) MYCMAXPIM1CISD1NAT1
SCHEMBL18103029 0.76 NAT1 (0.66) MYCMAXPTP4A3PIM1NAT1

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 5 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
WO-2006071255-A9 BACTERIAL REPLICATION SYSTEMS AND METHODS REPLIDYNE INC (US) 2007-02-15 WO disclosed