SCHEMBL4052811

SCHEMBL4052811

O=C1NC(=S)SC1=Cc1ccc(CC2CNc3ccccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MYC P01106 2/20 0.56
MAX P61244 2/20 0.56
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
NAT1 P18440 5/20 0.55
CA2 P00918 1/20 0.55
EPHX1 P07099 1/20 0.55
MMP3 P08254 2/20 0.52
MMP13 P45452 2/20 0.52
CISD1 Q9NZ45 3/20 0.50
MAOA P21397 1/20 0.50
MEN1 O00255 1/20 0.49
PIM1 P11309 1/20 0.49
KMT2A Q03164 1/20 0.49
CRHBP P24387 2/20 0.48
CRHR2 Q13324 2/20 0.48
CTSD P07339 2/20 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
SCHEMBL4051735 0.77 CCKBR (0.38) RAB9AMEN1KMT2A
SCHEMBL4053230 0.77 MYC (0.57) MYCMAXRAB9AMEN1KMT2A
SCHEMBL8176997 0.76 NAT1 (0.75) MYCMAXRAB9ANPC1NAT1
SCHEMBL8176998 0.76 NAT1 (0.75) MYCMAXRAB9ANPC1NAT1
SCHEMBL4416451 0.73 NAT1 (1.00) MYCMAXRAB9ANAT1CA2
SCHEMBL3491175 0.73 NAT1 (1.00) MYCMAXRAB9ANAT1CA2
SCHEMBL1812224 0.73 NAT1 (1.00) MYCMAXRAB9ANAT1CA2
SCHEMBL346693 0.73 MYC (1.00) MYCMAXRAB9ANPC1NAT1
SCHEMBL346694 0.73 MYC (1.00) MYCMAXRAB9ANPC1NAT1
SCHEMBL10042186 0.73 MYC (1.00) MYCMAXRAB9ANPC1NAT1

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