SCHEMBL4052864

SCHEMBL4052864

O=C1NC(=S)S/C1=C/c1ccc(CNCc2ccc(F)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAT1 P18440 5/20 0.77
MYC P01106 3/20 0.64
MAX P61244 3/20 0.64
NPC1 O15118 1/20 0.64
RAB9A P51151 1/20 0.64
PIM1 P11309 1/20 0.58
PIM2 Q9P1W9 1/20 0.58
CISD1 Q9NZ45 4/20 0.58
CA2 P00918 1/20 0.56
EPHX1 P07099 1/20 0.56
PTPN1 P18031 1/20 0.54
MAOA P21397 1/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
CSNK2A2 P19784 1/20 0.53
CLK1 P49759 1/20 0.53
CSNK2B P67870 1/20 0.53
CSNK2A1 P68400 1/20 0.53
DYRK1A Q13627 1/20 0.53
DYRK1B Q9Y463 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
SCHEMBL8310654 0.88 NAT1 (1.00) NAT1MYCMAXNPC1RAB9A
SCHEMBL9427043 0.88 NAT1 (1.00) NAT1MYCMAXNPC1RAB9A
SCHEMBL8310652 0.88 NAT1 (1.00) NAT1MYCMAXNPC1RAB9A
SCHEMBL4054069 0.85 NAT1 (0.77) NAT1MYCMAXNPC1RAB9A
SCHEMBL4054065 0.85 NAT1 (0.77) NAT1MYCMAXNPC1RAB9A
SCHEMBL4058652 0.84 MYC (0.63) NAT1MYCMAXNPC1RAB9A
SCHEMBL4056465 0.83 MYC (0.65) NAT1MYCMAXNPC1RAB9A
SCHEMBL1250155 0.81 PTPN1 (0.82) NAT1CISD1PTPN1MAOA
SCHEMBL1250159 0.81 PTPN1 (0.82) NAT1CISD1PTPN1MAOA
SCHEMBL4061045 0.81 NAT1 (0.70) NAT1MYCMAXNPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009109999-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 WO disclosed